Glycorine

PubChem CID: 18992

Connections displayed (default: 10).

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Compound Synonyms	1-Methylquinazolin-4(1H)-one, 3476-68-4, Glycorine, 1-Methyl-4(1H)-quinazolinone, 4(1H)-QUINAZOLINONE, 1-METHYL-, 1-methylquinazolin-4-one, GHK8W83JM1, NSC 94558, BRN 0127680, NSC-94558, UNII-GHK8W83JM1, 1-METHYL-4-QUINAZOLONE, DTXSID00188312, 5-24-03-00048 (Beilstein Handbook Reference), 1-methyl-1,4-dihydroquinazolin-4-one, Glycorin, NSC94558, SCHEMBL1304538, DTXCID30110803, KUC112567N, MFCD01685943, AKOS006373184, KSC-321-040, AS-49991, DS-003098, quinazoline, 1,4-dihydro-1-methyl-4-oxo-, O10431, AC-907/34120056
Ghose Rule	True
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	32.7
Hydrogen Bond Donor Count	0.0
Pfizer 3 75 Rule	False
Scaffold Graph Level	CC1CCCC2CCCCC12
Np Classifier Class	Quinazoline alkaloids
Deep Smiles	Cncnc=O)cc6cccc6
Heavy Atom Count	12.0
Classyfire Class	Diazanaphthalenes
Scaffold Graph Node Level	OC1NCNC2CCCCC12
Classyfire Subclass	Benzodiazines
Isotope Atom Count	0.0
Molecular Complexity	225.0
Database Name	cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	0.0
Iupac Name	1-methylquinazolin-4-one
Prediction Hob	1.0
Veber Rule	True
Classyfire Superclass	Organoheterocyclic compounds
Xlogp	0.9
Gsk 4 400 Rule	True
Molecular Formula	C9H8N2O
Scaffold Graph Node Bond Level	O=c1nc[nH]c2ccccc12
Prediction Swissadme	0.0
Inchi Key	QAXCWBIVFCEYGG-UHFFFAOYSA-N
Silicos It Class	Soluble
Fcsp3	0.1111111111111111
Logs	-1.701
Rotatable Bond Count	0.0
Logd	0.877
Synonyms	1-methyl-quinazol-4-one(glycorine), glycorine
Esol Class	Soluble
Functional Groups	c=O, cn(c)C, cnc
Compound Name	Glycorine
Prediction Hob Swissadme	0.0
Exact Mass	160.064
Formal Charge	0.0
Monoisotopic Mass	160.064
Hydrogen Bond Acceptor Count	1.0
Molecular Weight	160.17
Gi Absorption	True
Covalent Unit Count	1.0
Total Atom Stereocenter Count	0.0
Total Bond Stereocenter Count	0.0
Lipinski Rule Of 5	True
Esol	-2.835757866666667
Inchi	InChI=1S/C9H8N2O/c1-11-6-10-9(12)7-4-2-3-5-8(7)11/h2-6H,1H3
Smiles	CN1C=NC(=O)C2=CC=CC=C21
Nring	2.0
Np Classifier Biosynthetic Pathway	Alkaloids
Defined Bond Stereocenter Count	0.0
Egan Rule	True
Np Classifier Superclass	Anthranilic acid alkaloids

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188. Outgoing r'ship FOUND_IN to/from Vitellaria Paradoxa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all

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Phytochemical Properties

Associated Connections 188

Plant Connections 188