(3S)-3-propyl-4-(1H-pyrrolo[2,3-b]pyridine-5-carbonyl)-1,3-dihydroquinoxalin-2-one

C19H18N4O2 — CID 177274169

IUPAC(3S)-3-propyl-4-(1H-pyrrolo[2,3-b]pyridine-5-carbonyl)-1,3-dihydroquinoxalin-2-one
SMILESCCC[C@H]1C(=O)Nc2ccccc2N1C(=O)c1cnc2[nH]ccc2c1
InChIInChI=1S/C19H18N4O2/c1-2-5-16-18(24)22-14-6-3-4-7-15(14)23(16)19(25)13-10-12-8-9-20-17(12)21-11-13/h3-4,6-11,16H,2,5H2,1H3,(H,20,21)(H,22,24)/t16-/m0/s1
InChIKeyOEDXRUDXSCZUJX-INIZCTEOSA-N
MW334.38 g/mol
LogP3.33
Rot. Bonds3

About (3S)-3-propyl-4-(1H-pyrrolo[2,3-b]pyridine-5-carbonyl)-1,3-dihydroquinoxalin-2-one

(3S)-3-propyl-4-(1H-pyrrolo[2,3-b]pyridine-5-carbonyl)-1,3-dihydroquinoxalin-2-one (PubChem CID 177274169) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is (3S)-3-propyl-4-(1H-pyrrolo[2,3-b]pyridine-5-carbonyl)-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name(3S)-3-propyl-4-(1H-pyrrolo[2,3-b]pyridine-5-carbonyl)-1,3-dihydroquinoxalin-2-one
PubChem CID177274169
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name(3S)-3-propyl-4-(1H-pyrrolo[2,3-b]pyridine-5-carbonyl)-1,3-dihydroquinoxalin-2-one
SMILESCCC[C@H]1C(=O)Nc2ccccc2N1C(=O)c1cnc2[nH]ccc2c1
InChIInChI=1S/C19H18N4O2/c1-2-5-16-18(24)22-14-6-3-4-7-15(14)23(16)19(25)13-10-12-8-9-20-17(12)21-11-13/h3-4,6-11,16H,2,5H2,1H3,(H,20,21)(H,22,24)/t16-/m0/s1
InChIKeyOEDXRUDXSCZUJX-INIZCTEOSA-N
XLogP3.33
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3S)-3-propyl-4-(1H-pyrrolo[2,3-b]pyridine-5-carbonyl)-1,3-dihydroquinoxalin-2-one 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

(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
(3S)-4-[6-(difluoromethoxy)pyridine-3-carbonyl]-3-propyl-1,3-dihydroquinoxalin-2-one
CID 177274163
3-propyl-4-(thiophene-2-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 170319935
N-(6-methyl-3-pyridinyl)-3-oxo-2-propyl-2,4-dihydroquinoxaline-1-carboxamide
CID 170320010
(2S)-3-oxo-2-propyl-N-pyridin-4-yl-2,4-dihydroquinoxaline-1-carboxamide
CID 177274192
3-oxo-N-(1-phenylethyl)-2-propyl-2,4-dihydroquinoxaline-1-carboxamide
CID 170319902
2-[(2S)-1-benzoyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(2-ethoxyphenyl)acetamide
CID 34307432
N-(3,4-dimethylphenyl)-2-[(2R)-1-(4-methoxybenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 34311037
N-(4-methylphenyl)-2-[(2R)-3-oxo-1-(4-propoxybenzoyl)-2,4-dihydroquinoxalin-2-yl]acetamide
CID 34311344
2-[(2S)-1-(3,4-dimethoxybenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(3,4-dimethylphenyl)acetamide
CID 34310201
N-(3,4-dichlorophenyl)-2-[(2S)-1-(4-methylbenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 34115383

Frequently Asked Questions

What is the IUPAC name of (3S)-3-propyl-4-(1H-pyrrolo[2,3-b]pyridine-5-carbonyl)-1,3-dihydroquinoxalin-2-one?
The IUPAC name of (3S)-3-propyl-4-(1H-pyrrolo[2,3-b]pyridine-5-carbonyl)-1,3-dihydroquinoxalin-2-one (CID 177274169) is (3S)-3-propyl-4-(1H-pyrrolo[2,3-b]pyridine-5-carbonyl)-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for (3S)-3-propyl-4-(1H-pyrrolo[2,3-b]pyridine-5-carbonyl)-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for (3S)-3-propyl-4-(1H-pyrrolo[2,3-b]pyridine-5-carbonyl)-1,3-dihydroquinoxalin-2-one is CCC[C@H]1C(=O)Nc2ccccc2N1C(=O)c1cnc2[nH]ccc2c1.
What is the InChIKey of (3S)-3-propyl-4-(1H-pyrrolo[2,3-b]pyridine-5-carbonyl)-1,3-dihydroquinoxalin-2-one?
The InChIKey is OEDXRUDXSCZUJX-INIZCTEOSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-2-5-16-18(24)22-14-6-3-4-7-15(14)23(16)19(25)13-10-12-8-9-20-17(12)21-11-13/h3-4,6-11,16H,2,5H2,1H3,(H,20,21)(H,22,24)/t16-/m0/s1.
What are the key properties of (3S)-3-propyl-4-(1H-pyrrolo[2,3-b]pyridine-5-carbonyl)-1,3-dihydroquinoxalin-2-one?
(3S)-3-propyl-4-(1H-pyrrolo[2,3-b]pyridine-5-carbonyl)-1,3-dihydroquinoxalin-2-one has a molecular weight of 334.38 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-propyl-4-(1H-pyrrolo[2,3-b]pyridine-5-carbonyl)-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 177274169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).