[2-(6-methyl-4-oxo-3H-quinazolin-2-yl)-2-phenylethyl]carbamic acid

C18H17N3O3 — CID 137108828

IUPAC[2-(6-methyl-4-oxo-3H-quinazolin-2-yl)-2-phenylethyl]carbamic acid
SMILESCc1ccc2nc(C(CNC(=O)O)c3ccccc3)[nH]c(=O)c2c1
InChIInChI=1S/C18H17N3O3/c1-11-7-8-15-13(9-11)17(22)21-16(20-15)14(10-19-18(23)24)12-5-3-2-4-6-12/h2-9,14,19H,10H2,1H3,(H,23,24)(H,20,21,22)
InChIKeyONVSKKRTKSCINK-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.63
Rot. Bonds4

About [2-(6-methyl-4-oxo-3H-quinazolin-2-yl)-2-phenylethyl]carbamic acid

[2-(6-methyl-4-oxo-3H-quinazolin-2-yl)-2-phenylethyl]carbamic acid (PubChem CID 137108828) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is [2-(6-methyl-4-oxo-3H-quinazolin-2-yl)-2-phenylethyl]carbamic acid.

Molecular Properties

Compound Name[2-(6-methyl-4-oxo-3H-quinazolin-2-yl)-2-phenylethyl]carbamic acid
PubChem CID137108828
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name[2-(6-methyl-4-oxo-3H-quinazolin-2-yl)-2-phenylethyl]carbamic acid
SMILESCc1ccc2nc(C(CNC(=O)O)c3ccccc3)[nH]c(=O)c2c1
InChIInChI=1S/C18H17N3O3/c1-11-7-8-15-13(9-11)17(22)21-16(20-15)14(10-19-18(23)24)12-5-3-2-4-6-12/h2-9,14,19H,10H2,1H3,(H,23,24)(H,20,21,22)
InChIKeyONVSKKRTKSCINK-UHFFFAOYSA-N
XLogP2.63
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[2-(6-methyl-1H-benzimidazol-2-yl)-2-phenylethyl]-4-(1,2,4-triazol-4-yl)benzamide
CID 121407231
tert-butyl N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-phenylethyl]carbamate
CID 140840685
2-[(1S)-1-[[(S)-(4-methylphenyl)-phenylmethyl]amino]ethyl]-3H-quinazolin-4-one
CID 135809538
[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(2,4-dimethylphenyl)sulfanylacetate
CID 135710821
2-(chloromethyl)-6-methyl-3H-quinazolin-4-one
CID 135715019
(6-methyl-4-oxo-3H-quinazolin-2-yl)methyl acetate
CID 135411171
8-methyl-3-phenyl-2H-benzo[b][1,6]naphthyridin-1-one
CID 102599004
[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2,5-dimethylbenzoate
CID 135582910
2-[(1S)-1,3-dihydroxypropyl]-3H-quinazolin-4-one
CID 135404229
(2S)-2-[(6-methyl-4-phenylquinazolin-2-yl)amino]propanoic acid
CID 929491
[2-[2,6-bis(2,5-dimethylpyrrol-1-yl)-4-pyridinyl]-2-phenylethyl]carbamic acid
CID 130431764
4-methyl-N-[(6-methyl-1H-benzimidazol-2-yl)-phenylmethyl]benzamide
CID 43889998

Frequently Asked Questions

What is the IUPAC name of [2-(6-methyl-4-oxo-3H-quinazolin-2-yl)-2-phenylethyl]carbamic acid?
The IUPAC name of [2-(6-methyl-4-oxo-3H-quinazolin-2-yl)-2-phenylethyl]carbamic acid (CID 137108828) is [2-(6-methyl-4-oxo-3H-quinazolin-2-yl)-2-phenylethyl]carbamic acid.
What is the SMILES notation for [2-(6-methyl-4-oxo-3H-quinazolin-2-yl)-2-phenylethyl]carbamic acid?
The canonical SMILES for [2-(6-methyl-4-oxo-3H-quinazolin-2-yl)-2-phenylethyl]carbamic acid is Cc1ccc2nc(C(CNC(=O)O)c3ccccc3)[nH]c(=O)c2c1.
What is the InChIKey of [2-(6-methyl-4-oxo-3H-quinazolin-2-yl)-2-phenylethyl]carbamic acid?
The InChIKey is ONVSKKRTKSCINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-11-7-8-15-13(9-11)17(22)21-16(20-15)14(10-19-18(23)24)12-5-3-2-4-6-12/h2-9,14,19H,10H2,1H3,(H,23,24)(H,20,21,22).
What are the key properties of [2-(6-methyl-4-oxo-3H-quinazolin-2-yl)-2-phenylethyl]carbamic acid?
[2-(6-methyl-4-oxo-3H-quinazolin-2-yl)-2-phenylethyl]carbamic acid has a molecular weight of 323.35 g/mol, XLogP of 2.63, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6-methyl-4-oxo-3H-quinazolin-2-yl)-2-phenylethyl]carbamic acid is sourced from PubChem (CID 137108828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).