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

C15H17N3O3 — CID 136920277

IUPACN-(2-cyclopropyl-1-hydroxypropan-2-yl)-4-oxo-3H-quinazoline-2-carboxamide
SMILESCC(CO)(NC(=O)c1nc2ccccc2c(=O)[nH]1)C1CC1
InChIInChI=1S/C15H17N3O3/c1-15(8-19,9-6-7-9)18-14(21)12-16-11-5-3-2-4-10(11)13(20)17-12/h2-5,9,19H,6-8H2,1H3,(H,18,21)(H,16,17,20)
InChIKeyLIBWWQNFUIXAOY-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.81
Rot. Bonds4

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

N-(2-cyclopropyl-1-hydroxypropan-2-yl)-4-oxo-3H-quinazoline-2-carboxamide (PubChem CID 136920277) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-(2-cyclopropyl-1-hydroxypropan-2-yl)-4-oxo-3H-quinazoline-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-1-hydroxypropan-2-yl)-4-oxo-3H-quinazoline-2-carboxamide
PubChem CID136920277
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC NameN-(2-cyclopropyl-1-hydroxypropan-2-yl)-4-oxo-3H-quinazoline-2-carboxamide
SMILESCC(CO)(NC(=O)c1nc2ccccc2c(=O)[nH]1)C1CC1
InChIInChI=1S/C15H17N3O3/c1-15(8-19,9-6-7-9)18-14(21)12-16-11-5-3-2-4-10(11)13(20)17-12/h2-5,9,19H,6-8H2,1H3,(H,18,21)(H,16,17,20)
InChIKeyLIBWWQNFUIXAOY-UHFFFAOYSA-N
XLogP0.81
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-4-oxo-3H-quinazoline-2-carboxamide
CID 136829251
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-oxo-3H-quinazoline-2-carbothioamide
CID 135722019
N-(1-hydroxypropan-2-yl)-4-oxo-3H-quinazoline-2-carboxamide
CID 136759238
4-oxo-N-phenyl-3H-quinazoline-2-carboxamide
CID 135794299
N-(2-aminoethyl)-4-oxo-3H-quinazoline-2-carboxamide
CID 135629189
N-[(2S)-2-cyclohexyl-1-hydroxypropan-2-yl]-2-oxo-1H-quinoline-3-carboxamide
CID 99827233
4-oxo-N-(oxolan-2-ylmethyl)-3H-quinazoline-2-carboxamide
CID 135629187
4-oxo-N-(1-phenylethyl)-3H-quinazoline-2-carboxamide
CID 135653744
N-[2-[(2,2-diphenylacetyl)amino]ethyl]-4-oxo-3H-quinazoline-2-carboxamide
CID 135658789
N-(1-oxaspiro[4.4]nonan-4-yl)-4-oxo-3H-quinazoline-2-carboxamide
CID 136569834
N-(1-amino-2-cyclopropylpropan-2-yl)quinoxaline-2-carboxamide;dihydrochloride
CID 119572354
N-(2-hydroxy-4-methylpentyl)-4-oxo-3H-quinazoline-2-carboxamide
CID 136790311

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-1-hydroxypropan-2-yl)-4-oxo-3H-quinazoline-2-carboxamide?
The IUPAC name of N-(2-cyclopropyl-1-hydroxypropan-2-yl)-4-oxo-3H-quinazoline-2-carboxamide (CID 136920277) is N-(2-cyclopropyl-1-hydroxypropan-2-yl)-4-oxo-3H-quinazoline-2-carboxamide.
What is the SMILES notation for N-(2-cyclopropyl-1-hydroxypropan-2-yl)-4-oxo-3H-quinazoline-2-carboxamide?
The canonical SMILES for N-(2-cyclopropyl-1-hydroxypropan-2-yl)-4-oxo-3H-quinazoline-2-carboxamide is CC(CO)(NC(=O)c1nc2ccccc2c(=O)[nH]1)C1CC1.
What is the InChIKey of N-(2-cyclopropyl-1-hydroxypropan-2-yl)-4-oxo-3H-quinazoline-2-carboxamide?
The InChIKey is LIBWWQNFUIXAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-15(8-19,9-6-7-9)18-14(21)12-16-11-5-3-2-4-10(11)13(20)17-12/h2-5,9,19H,6-8H2,1H3,(H,18,21)(H,16,17,20).
What are the key properties of N-(2-cyclopropyl-1-hydroxypropan-2-yl)-4-oxo-3H-quinazoline-2-carboxamide?
N-(2-cyclopropyl-1-hydroxypropan-2-yl)-4-oxo-3H-quinazoline-2-carboxamide has a molecular weight of 287.32 g/mol, XLogP of 0.81, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-1-hydroxypropan-2-yl)-4-oxo-3H-quinazoline-2-carboxamide is sourced from PubChem (CID 136920277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).