N-(1-hydroxypropan-2-yl)-4-oxo-3H-quinazoline-2-carboxamide

C12H13N3O3 — CID 136759238

IUPACN-(1-hydroxypropan-2-yl)-4-oxo-3H-quinazoline-2-carboxamide
SMILESCC(CO)NC(=O)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C12H13N3O3/c1-7(6-16)13-12(18)10-14-9-5-3-2-4-8(9)11(17)15-10/h2-5,7,16H,6H2,1H3,(H,13,18)(H,14,15,17)
InChIKeyLWLKMMBUKPGSCN-UHFFFAOYSA-N
MW247.25 g/mol
LogP0.03
Rot. Bonds3

About N-(1-hydroxypropan-2-yl)-4-oxo-3H-quinazoline-2-carboxamide

N-(1-hydroxypropan-2-yl)-4-oxo-3H-quinazoline-2-carboxamide (PubChem CID 136759238) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is N-(1-hydroxypropan-2-yl)-4-oxo-3H-quinazoline-2-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxypropan-2-yl)-4-oxo-3H-quinazoline-2-carboxamide
PubChem CID136759238
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC NameN-(1-hydroxypropan-2-yl)-4-oxo-3H-quinazoline-2-carboxamide
SMILESCC(CO)NC(=O)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C12H13N3O3/c1-7(6-16)13-12(18)10-14-9-5-3-2-4-8(9)11(17)15-10/h2-5,7,16H,6H2,1H3,(H,13,18)(H,14,15,17)
InChIKeyLWLKMMBUKPGSCN-UHFFFAOYSA-N
XLogP0.03
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-4-oxo-3H-quinazoline-2-carboxamide
CID 136829251
4-oxo-N-(1-phenylethyl)-3H-quinazoline-2-carboxamide
CID 135653744
N-[4-(furan-2-yl)-4-hydroxybutan-2-yl]-4-oxo-3H-quinazoline-2-carboxamide
CID 136802083
ethyl (2R,3R)-2-methyl-3-[(4-oxo-3H-quinazoline-2-carbonyl)amino]butanoate
CID 136718552
N-(2-hydroxy-4-methylpentyl)-4-oxo-3H-quinazoline-2-carboxamide
CID 136790311
4-oxo-N-phenyl-3H-quinazoline-2-carboxamide
CID 135794299
N-[2-[(2,2-diphenylacetyl)amino]ethyl]-4-oxo-3H-quinazoline-2-carboxamide
CID 135658789
N-(2-aminoethyl)-4-oxo-3H-quinazoline-2-carboxamide
CID 135629189
N-[(1R)-1-(2-chloro-4-fluorophenyl)ethyl]-4-oxo-3H-quinazoline-2-carboxamide
CID 136837271
N-[(1R)-1-(2-fluoro-6-methoxyphenyl)ethyl]-4-oxo-3H-quinazoline-2-carboxamide
CID 136782968
N-(2-cyclopropyl-1-hydroxypropan-2-yl)-4-oxo-3H-quinazoline-2-carboxamide
CID 136920277
N-(2-methoxyphenyl)-4-oxo-3H-quinazoline-2-carboxamide
CID 137108213

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypropan-2-yl)-4-oxo-3H-quinazoline-2-carboxamide?
The IUPAC name of N-(1-hydroxypropan-2-yl)-4-oxo-3H-quinazoline-2-carboxamide (CID 136759238) is N-(1-hydroxypropan-2-yl)-4-oxo-3H-quinazoline-2-carboxamide.
What is the SMILES notation for N-(1-hydroxypropan-2-yl)-4-oxo-3H-quinazoline-2-carboxamide?
The canonical SMILES for N-(1-hydroxypropan-2-yl)-4-oxo-3H-quinazoline-2-carboxamide is CC(CO)NC(=O)c1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of N-(1-hydroxypropan-2-yl)-4-oxo-3H-quinazoline-2-carboxamide?
The InChIKey is LWLKMMBUKPGSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-7(6-16)13-12(18)10-14-9-5-3-2-4-8(9)11(17)15-10/h2-5,7,16H,6H2,1H3,(H,13,18)(H,14,15,17).
What are the key properties of N-(1-hydroxypropan-2-yl)-4-oxo-3H-quinazoline-2-carboxamide?
N-(1-hydroxypropan-2-yl)-4-oxo-3H-quinazoline-2-carboxamide has a molecular weight of 247.25 g/mol, XLogP of 0.03, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypropan-2-yl)-4-oxo-3H-quinazoline-2-carboxamide is sourced from PubChem (CID 136759238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).