(2R)-2-hydroxy-N-(6-methyl-4-oxo-3H-quinazolin-7-yl)-2-(4-methylphenyl)propanamide

C19H19N3O3 — CID 138529056

IUPAC(2R)-2-hydroxy-N-(6-methyl-4-oxo-3H-quinazolin-7-yl)-2-(4-methylphenyl)propanamide
SMILESCc1ccc([C@@](C)(O)C(=O)Nc2cc3nc[nH]c(=O)c3cc2C)cc1
InChIInChI=1S/C19H19N3O3/c1-11-4-6-13(7-5-11)19(3,25)18(24)22-15-9-16-14(8-12(15)2)17(23)21-10-20-16/h4-10,25H,1-3H3,(H,22,24)(H,20,21,23)/t19-/m1/s1
InChIKeyXAWJFNOZRAFQQU-LJQANCHMSA-N
MW337.38 g/mol
LogP2.39
Rot. Bonds3

About (2R)-2-hydroxy-N-(6-methyl-4-oxo-3H-quinazolin-7-yl)-2-(4-methylphenyl)propanamide

(2R)-2-hydroxy-N-(6-methyl-4-oxo-3H-quinazolin-7-yl)-2-(4-methylphenyl)propanamide (PubChem CID 138529056) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is (2R)-2-hydroxy-N-(6-methyl-4-oxo-3H-quinazolin-7-yl)-2-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-hydroxy-N-(6-methyl-4-oxo-3H-quinazolin-7-yl)-2-(4-methylphenyl)propanamide
PubChem CID138529056
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name(2R)-2-hydroxy-N-(6-methyl-4-oxo-3H-quinazolin-7-yl)-2-(4-methylphenyl)propanamide
SMILESCc1ccc([C@@](C)(O)C(=O)Nc2cc3nc[nH]c(=O)c3cc2C)cc1
InChIInChI=1S/C19H19N3O3/c1-11-4-6-13(7-5-11)19(3,25)18(24)22-15-9-16-14(8-12(15)2)17(23)21-10-20-16/h4-10,25H,1-3H3,(H,22,24)(H,20,21,23)/t19-/m1/s1
InChIKeyXAWJFNOZRAFQQU-LJQANCHMSA-N
XLogP2.39
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[7-(methylamino)-4-oxo-3H-quinazolin-6-yl]acetamide
CID 137153669
N-(2,6-dimethylphenyl)-4-oxo-3H-quinazoline-6-carboxamide
CID 141277541
1-(4-methylphenyl)-3-(4-oxo-3H-quinazolin-6-yl)thiourea
CID 135537826
N-(6-nitro-4-oxo-3H-quinazolin-7-yl)acetamide
CID 135618491
7-methoxy-6-methyl-3H-quinazolin-4-one
CID 135980182
6-(2-hydroxyhexan-2-yl)-3H-quinazolin-4-one
CID 135518226
6-amino-7-[(4-hydroxy-2-methylbutan-2-yl)amino]-3H-quinazolin-4-one
CID 136984779
6-[hydroxy(diphenyl)methyl]-3H-quinazolin-4-one
CID 135800573
2-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-methyl-N-[5-methyl-6-(4-oxo-3H-quinazolin-7-yl)-2-pyridinyl]propanamide
CID 137005241
N-(7-fluoro-4-oxo-3H-quinazolin-6-yl)-2-[4-(4-methylphenyl)-2-oxo-1,3-thiazol-3-yl]acetamide
CID 166199491
N-[5-[[4-chloro-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-4-oxo-3H-quinazoline-6-carboxamide
CID 135520524
N-(4-oxo-3H-quinazolin-6-yl)benzamide
CID 174817735

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-N-(6-methyl-4-oxo-3H-quinazolin-7-yl)-2-(4-methylphenyl)propanamide?
The IUPAC name of (2R)-2-hydroxy-N-(6-methyl-4-oxo-3H-quinazolin-7-yl)-2-(4-methylphenyl)propanamide (CID 138529056) is (2R)-2-hydroxy-N-(6-methyl-4-oxo-3H-quinazolin-7-yl)-2-(4-methylphenyl)propanamide.
What is the SMILES notation for (2R)-2-hydroxy-N-(6-methyl-4-oxo-3H-quinazolin-7-yl)-2-(4-methylphenyl)propanamide?
The canonical SMILES for (2R)-2-hydroxy-N-(6-methyl-4-oxo-3H-quinazolin-7-yl)-2-(4-methylphenyl)propanamide is Cc1ccc([C@@](C)(O)C(=O)Nc2cc3nc[nH]c(=O)c3cc2C)cc1.
What is the InChIKey of (2R)-2-hydroxy-N-(6-methyl-4-oxo-3H-quinazolin-7-yl)-2-(4-methylphenyl)propanamide?
The InChIKey is XAWJFNOZRAFQQU-LJQANCHMSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-11-4-6-13(7-5-11)19(3,25)18(24)22-15-9-16-14(8-12(15)2)17(23)21-10-20-16/h4-10,25H,1-3H3,(H,22,24)(H,20,21,23)/t19-/m1/s1.
What are the key properties of (2R)-2-hydroxy-N-(6-methyl-4-oxo-3H-quinazolin-7-yl)-2-(4-methylphenyl)propanamide?
(2R)-2-hydroxy-N-(6-methyl-4-oxo-3H-quinazolin-7-yl)-2-(4-methylphenyl)propanamide has a molecular weight of 337.38 g/mol, XLogP of 2.39, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-N-(6-methyl-4-oxo-3H-quinazolin-7-yl)-2-(4-methylphenyl)propanamide is sourced from PubChem (CID 138529056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).