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

C18H14N4O3 — CID 90233173

IUPAC1-(5-cyano-4-oxo-3-phenylquinazolin-2-yl)ethylcarbamic acid
SMILESCC(NC(=O)O)c1nc2cccc(C#N)c2c(=O)n1-c1ccccc1
InChIInChI=1S/C18H14N4O3/c1-11(20-18(24)25)16-21-14-9-5-6-12(10-19)15(14)17(23)22(16)13-7-3-2-4-8-13/h2-9,11,20H,1H3,(H,24,25)
InChIKeyITGVLLBAVIYXAQ-UHFFFAOYSA-N
MW334.34 g/mol
LogP2.59
Rot. Bonds3

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

1-(5-cyano-4-oxo-3-phenylquinazolin-2-yl)ethylcarbamic acid (PubChem CID 90233173) has the molecular formula C18H14N4O3 and a molecular weight of 334.34 g/mol. Its IUPAC name is 1-(5-cyano-4-oxo-3-phenylquinazolin-2-yl)ethylcarbamic acid.

Molecular Properties

Compound Name1-(5-cyano-4-oxo-3-phenylquinazolin-2-yl)ethylcarbamic acid
PubChem CID90233173
Molecular FormulaC18H14N4O3
Molecular Weight334.34 g/mol
Exact Mass334.11
IUPAC Name1-(5-cyano-4-oxo-3-phenylquinazolin-2-yl)ethylcarbamic acid
SMILESCC(NC(=O)O)c1nc2cccc(C#N)c2c(=O)n1-c1ccccc1
InChIInChI=1S/C18H14N4O3/c1-11(20-18(24)25)16-21-14-9-5-6-12(10-19)15(14)17(23)22(16)13-7-3-2-4-8-13/h2-9,11,20H,1H3,(H,24,25)
InChIKeyITGVLLBAVIYXAQ-UHFFFAOYSA-N
XLogP2.59
TPSA108.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-methoxy-4-oxo-3-phenylquinazolin-2-yl)ethylcarbamic acid
CID 90232864
1-(5-carbamoyl-4-oxo-3-phenylquinazolin-2-yl)ethylcarbamic acid
CID 90235066
tert-butyl N-[(1S)-1-(5-ethynyl-4-oxo-3-phenylquinazolin-2-yl)ethyl]carbamate
CID 152666916
2-ethyl-4-oxo-3-phenylquinazoline-5-carbonitrile
CID 123768528
1-[5-[3-hydroxy-2-(hydroxymethyl)-2-methylpropoxy]-4-oxo-3-phenylquinazolin-2-yl]ethylcarbamic acid
CID 118677983
tert-butyl N-[1-[5-cyano-3-(3-cyano-5-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]carbamate
CID 90235309
N-[1-(5-ethynyl-4-oxo-3-phenylquinazolin-2-yl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118032021
[(1S)-1-(3-phenylimidazo[4,5-b]pyridin-2-yl)ethyl]carbamic acid
CID 141346036
2-[(1S)-1-aminoethyl]-3-(3,5-difluorophenyl)-4-oxoquinazoline-5-carbonitrile
CID 90235732
2-amino-4-[[(1R)-1-(5-chloro-4-oxo-3-phenylquinazolin-2-yl)ethyl]amino]pyrimidine-5-carbonitrile
CID 118494006
1-[5-(difluoromethyl)-3-(3,5-difluorophenyl)-4-oxoquinazolin-2-yl]ethylcarbamic acid
CID 90233135
N-[1-[5-[(3R)-3-hydroxybut-1-ynyl]-4-oxo-3-phenylquinazolin-2-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118032136

Frequently Asked Questions

What is the IUPAC name of 1-(5-cyano-4-oxo-3-phenylquinazolin-2-yl)ethylcarbamic acid?
The IUPAC name of 1-(5-cyano-4-oxo-3-phenylquinazolin-2-yl)ethylcarbamic acid (CID 90233173) is 1-(5-cyano-4-oxo-3-phenylquinazolin-2-yl)ethylcarbamic acid.
What is the SMILES notation for 1-(5-cyano-4-oxo-3-phenylquinazolin-2-yl)ethylcarbamic acid?
The canonical SMILES for 1-(5-cyano-4-oxo-3-phenylquinazolin-2-yl)ethylcarbamic acid is CC(NC(=O)O)c1nc2cccc(C#N)c2c(=O)n1-c1ccccc1.
What is the InChIKey of 1-(5-cyano-4-oxo-3-phenylquinazolin-2-yl)ethylcarbamic acid?
The InChIKey is ITGVLLBAVIYXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O3/c1-11(20-18(24)25)16-21-14-9-5-6-12(10-19)15(14)17(23)22(16)13-7-3-2-4-8-13/h2-9,11,20H,1H3,(H,24,25).
What are the key properties of 1-(5-cyano-4-oxo-3-phenylquinazolin-2-yl)ethylcarbamic acid?
1-(5-cyano-4-oxo-3-phenylquinazolin-2-yl)ethylcarbamic acid has a molecular weight of 334.34 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyano-4-oxo-3-phenylquinazolin-2-yl)ethylcarbamic acid is sourced from PubChem (CID 90233173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).