1-(5-carbamoyl-4-oxo-3-phenylquinazolin-2-yl)ethylcarbamic acid

C18H16N4O4 — CID 90235066

IUPAC1-(5-carbamoyl-4-oxo-3-phenylquinazolin-2-yl)ethylcarbamic acid
SMILESCC(NC(=O)O)c1nc2cccc(C(N)=O)c2c(=O)n1-c1ccccc1
InChIInChI=1S/C18H16N4O4/c1-10(20-18(25)26)16-21-13-9-5-8-12(15(19)23)14(13)17(24)22(16)11-6-3-2-4-7-11/h2-10,20H,1H3,(H2,19,23)(H,25,26)
InChIKeyVXDQYJWREZKXOD-UHFFFAOYSA-N
MW352.35 g/mol
LogP1.81
Rot. Bonds4

About 1-(5-carbamoyl-4-oxo-3-phenylquinazolin-2-yl)ethylcarbamic acid

1-(5-carbamoyl-4-oxo-3-phenylquinazolin-2-yl)ethylcarbamic acid (PubChem CID 90235066) has the molecular formula C18H16N4O4 and a molecular weight of 352.35 g/mol. Its IUPAC name is 1-(5-carbamoyl-4-oxo-3-phenylquinazolin-2-yl)ethylcarbamic acid.

Molecular Properties

Compound Name1-(5-carbamoyl-4-oxo-3-phenylquinazolin-2-yl)ethylcarbamic acid
PubChem CID90235066
Molecular FormulaC18H16N4O4
Molecular Weight352.35 g/mol
Exact Mass352.12
IUPAC Name1-(5-carbamoyl-4-oxo-3-phenylquinazolin-2-yl)ethylcarbamic acid
SMILESCC(NC(=O)O)c1nc2cccc(C(N)=O)c2c(=O)n1-c1ccccc1
InChIInChI=1S/C18H16N4O4/c1-10(20-18(25)26)16-21-13-9-5-8-12(15(19)23)14(13)17(24)22(16)11-6-3-2-4-7-11/h2-10,20H,1H3,(H2,19,23)(H,25,26)
InChIKeyVXDQYJWREZKXOD-UHFFFAOYSA-N
XLogP1.81
TPSA127.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-(5-carbamoyl-4-oxo-3-phenylquinazolin-2-yl)ethylcarbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-methoxy-4-oxo-3-phenylquinazolin-2-yl)ethylcarbamic acid
CID 90232864
1-(5-cyano-4-oxo-3-phenylquinazolin-2-yl)ethylcarbamic acid
CID 90233173
1-[5-[3-hydroxy-2-(hydroxymethyl)-2-methylpropoxy]-4-oxo-3-phenylquinazolin-2-yl]ethylcarbamic acid
CID 118677983
[(1S)-1-[3-(5-amino-3-pyridinyl)-5-chloro-4-oxoquinazolin-2-yl]ethyl]carbamic acid
CID 141422293
[(1S)-1-(3-phenylimidazo[4,5-b]pyridin-2-yl)ethyl]carbamic acid
CID 141346036
1-[5-(difluoromethyl)-3-(3,5-difluorophenyl)-4-oxoquinazolin-2-yl]ethylcarbamic acid
CID 90233135
1-[4-oxo-3-phenyl-5-[3-(2,2,6,6-tetrafluoromorpholin-4-yl)propyl]quinazolin-2-yl]ethylcarbamic acid
CID 118677647
(2S)-N-[(1S)-1-(5-chloro-4-oxo-3-phenylquinazolin-2-yl)ethyl]-2-methoxy-2-phenylacetamide
CID 142740117
2-(1-amino-2-methylpropyl)-5-bromo-3-phenylquinazolin-4-one;hydrochloride
CID 155191430
tert-butyl N-[(1S)-1-(5-ethynyl-4-oxo-3-phenylquinazolin-2-yl)ethyl]carbamate
CID 152666916
1-[5-chloro-3-(4-fluoro-3-methoxyphenyl)-4-oxoquinazolin-2-yl]ethylcarbamic acid
CID 90235723
1-[5-chloro-3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethylcarbamic acid
CID 90234958

Frequently Asked Questions

What is the IUPAC name of 1-(5-carbamoyl-4-oxo-3-phenylquinazolin-2-yl)ethylcarbamic acid?
The IUPAC name of 1-(5-carbamoyl-4-oxo-3-phenylquinazolin-2-yl)ethylcarbamic acid (CID 90235066) is 1-(5-carbamoyl-4-oxo-3-phenylquinazolin-2-yl)ethylcarbamic acid.
What is the SMILES notation for 1-(5-carbamoyl-4-oxo-3-phenylquinazolin-2-yl)ethylcarbamic acid?
The canonical SMILES for 1-(5-carbamoyl-4-oxo-3-phenylquinazolin-2-yl)ethylcarbamic acid is CC(NC(=O)O)c1nc2cccc(C(N)=O)c2c(=O)n1-c1ccccc1.
What is the InChIKey of 1-(5-carbamoyl-4-oxo-3-phenylquinazolin-2-yl)ethylcarbamic acid?
The InChIKey is VXDQYJWREZKXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O4/c1-10(20-18(25)26)16-21-13-9-5-8-12(15(19)23)14(13)17(24)22(16)11-6-3-2-4-7-11/h2-10,20H,1H3,(H2,19,23)(H,25,26).
What are the key properties of 1-(5-carbamoyl-4-oxo-3-phenylquinazolin-2-yl)ethylcarbamic acid?
1-(5-carbamoyl-4-oxo-3-phenylquinazolin-2-yl)ethylcarbamic acid has a molecular weight of 352.35 g/mol, XLogP of 1.81, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-carbamoyl-4-oxo-3-phenylquinazolin-2-yl)ethylcarbamic acid is sourced from PubChem (CID 90235066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).