(2S)-3-oxo-2-propyl-N-pyridin-4-yl-2,4-dihydroquinoxaline-1-carboxamide

C17H18N4O2 — CID 177274192

IUPAC(2S)-3-oxo-2-propyl-N-pyridin-4-yl-2,4-dihydroquinoxaline-1-carboxamide
SMILESCCC[C@H]1C(=O)Nc2ccccc2N1C(=O)Nc1ccncc1
InChIInChI=1S/C17H18N4O2/c1-2-5-15-16(22)20-13-6-3-4-7-14(13)21(15)17(23)19-12-8-10-18-11-9-12/h3-4,6-11,15H,2,5H2,1H3,(H,20,22)(H,18,19,23)/t15-/m0/s1
InChIKeyXFMZTINKVZNAMY-HNNXBMFYSA-N
MW310.36 g/mol
LogP3.24
Rot. Bonds3

About (2S)-3-oxo-2-propyl-N-pyridin-4-yl-2,4-dihydroquinoxaline-1-carboxamide

(2S)-3-oxo-2-propyl-N-pyridin-4-yl-2,4-dihydroquinoxaline-1-carboxamide (PubChem CID 177274192) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is (2S)-3-oxo-2-propyl-N-pyridin-4-yl-2,4-dihydroquinoxaline-1-carboxamide.

Molecular Properties

Compound Name(2S)-3-oxo-2-propyl-N-pyridin-4-yl-2,4-dihydroquinoxaline-1-carboxamide
PubChem CID177274192
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name(2S)-3-oxo-2-propyl-N-pyridin-4-yl-2,4-dihydroquinoxaline-1-carboxamide
SMILESCCC[C@H]1C(=O)Nc2ccccc2N1C(=O)Nc1ccncc1
InChIInChI=1S/C17H18N4O2/c1-2-5-15-16(22)20-13-6-3-4-7-14(13)21(15)17(23)19-12-8-10-18-11-9-12/h3-4,6-11,15H,2,5H2,1H3,(H,20,22)(H,18,19,23)/t15-/m0/s1
InChIKeyXFMZTINKVZNAMY-HNNXBMFYSA-N
XLogP3.24
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-3-oxo-2-propyl-N-pyridin-4-yl-2,4-dihydroquinoxaline-1-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-(6-methyl-3-pyridinyl)-3-oxo-2-propyl-2,4-dihydroquinoxaline-1-carboxamide
CID 170320010
3-oxo-N-(1-phenylethyl)-2-propyl-2,4-dihydroquinoxaline-1-carboxamide
CID 170319902
3-propyl-4-(thiophene-2-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 170319935
(3S)-3-propyl-4-(1H-pyrrolo[2,3-b]pyridine-5-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 177274169
(3S)-4-[6-(dimethylamino)pyridine-3-carbonyl]-3-propyl-1,3-dihydroquinoxalin-2-one
CID 177274219
(3S)-4-[6-(benzylamino)pyridine-3-carbonyl]-3-propyl-1,3-dihydroquinoxalin-2-one
CID 177274193
N-(4-acetamidophenyl)-2-[(2R)-1-acetyl-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 1095970
ethyl 1-[(4-methoxyphenyl)carbamoyl]-3-oxo-2,4-dihydroquinoxaline-2-carboxylate
CID 10832867
(3S)-4-[6-(difluoromethoxy)pyridine-3-carbonyl]-3-propyl-1,3-dihydroquinoxalin-2-one
CID 177274163
2-[(2S)-1-benzoyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-methylphenyl)acetamide
CID 51551628
2-[(2R)-1-benzoyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-methylphenyl)acetamide
CID 51551629
N-(3,4-dimethylphenyl)-2-[3-oxo-1-(thiophene-2-carbonyl)-2,4-dihydroquinoxalin-2-yl]acetamide
CID 3685053

Frequently Asked Questions

What is the IUPAC name of (2S)-3-oxo-2-propyl-N-pyridin-4-yl-2,4-dihydroquinoxaline-1-carboxamide?
The IUPAC name of (2S)-3-oxo-2-propyl-N-pyridin-4-yl-2,4-dihydroquinoxaline-1-carboxamide (CID 177274192) is (2S)-3-oxo-2-propyl-N-pyridin-4-yl-2,4-dihydroquinoxaline-1-carboxamide.
What is the SMILES notation for (2S)-3-oxo-2-propyl-N-pyridin-4-yl-2,4-dihydroquinoxaline-1-carboxamide?
The canonical SMILES for (2S)-3-oxo-2-propyl-N-pyridin-4-yl-2,4-dihydroquinoxaline-1-carboxamide is CCC[C@H]1C(=O)Nc2ccccc2N1C(=O)Nc1ccncc1.
What is the InChIKey of (2S)-3-oxo-2-propyl-N-pyridin-4-yl-2,4-dihydroquinoxaline-1-carboxamide?
The InChIKey is XFMZTINKVZNAMY-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-2-5-15-16(22)20-13-6-3-4-7-14(13)21(15)17(23)19-12-8-10-18-11-9-12/h3-4,6-11,15H,2,5H2,1H3,(H,20,22)(H,18,19,23)/t15-/m0/s1.
What are the key properties of (2S)-3-oxo-2-propyl-N-pyridin-4-yl-2,4-dihydroquinoxaline-1-carboxamide?
(2S)-3-oxo-2-propyl-N-pyridin-4-yl-2,4-dihydroquinoxaline-1-carboxamide has a molecular weight of 310.36 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-oxo-2-propyl-N-pyridin-4-yl-2,4-dihydroquinoxaline-1-carboxamide is sourced from PubChem (CID 177274192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).