4-[3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanoyl]-1,3-dihydroquinoxalin-2-one

C20H19N3O3 — CID 31038718

IUPAC4-[3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanoyl]-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C(=O)CC[C@H]2Cc3ccccc3NC2=O)c2ccccc2N1
InChIInChI=1S/C20H19N3O3/c24-18-12-23(17-8-4-3-7-16(17)21-18)19(25)10-9-14-11-13-5-1-2-6-15(13)22-20(14)26/h1-8,14H,9-12H2,(H,21,24)(H,22,26)/t14-/m0/s1
InChIKeyIWYREBIVFMIQCP-AWEZNQCLSA-N
MW349.39 g/mol
LogP2.56
Rot. Bonds3

About 4-[3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanoyl]-1,3-dihydroquinoxalin-2-one

4-[3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanoyl]-1,3-dihydroquinoxalin-2-one (PubChem CID 31038718) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 4-[3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanoyl]-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-[3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanoyl]-1,3-dihydroquinoxalin-2-one
PubChem CID31038718
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name4-[3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanoyl]-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C(=O)CC[C@H]2Cc3ccccc3NC2=O)c2ccccc2N1
InChIInChI=1S/C20H19N3O3/c24-18-12-23(17-8-4-3-7-16(17)21-18)19(25)10-9-14-11-13-5-1-2-6-15(13)22-20(14)26/h1-8,14H,9-12H2,(H,21,24)(H,22,26)/t14-/m0/s1
InChIKeyIWYREBIVFMIQCP-AWEZNQCLSA-N
XLogP2.56
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanoyl]-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

1-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoyl]-2,3-dihydroindole-3-carboxylic acid
CID 120691182
4-(3-cyclohexylpropanoyl)-1,3-dihydroquinoxalin-2-one
CID 26860756
(3S)-2-[3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 125132973
4-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]acetyl]-1,3-dihydroquinoxalin-2-one
CID 7774495
3-[3-(3-methylpiperazin-1-yl)-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride
CID 119577735
3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide
CID 24633457
4-(6-aminohexanoyl)-1,3-dihydroquinoxalin-2-one
CID 28822275
N-(2-hydroxyethyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 78839484
2-[3-oxo-3-(3-oxo-2,4-dihydroquinoxalin-1-yl)propyl]sulfanylacetamide
CID 60734018
2-hydroxy-N-[3-oxo-3-(3-oxo-2,4-dihydroquinoxalin-1-yl)propyl]acetamide
CID 163261629
4-(2-nitrosoacetyl)-1,3-dihydroquinoxalin-2-one
CID 54465544
1-(4,4-dimethyl-1,3-dihydroisoquinolin-2-yl)-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butane-1,4-dione
CID 154834759

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanoyl]-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-[3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanoyl]-1,3-dihydroquinoxalin-2-one (CID 31038718) is 4-[3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanoyl]-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-[3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanoyl]-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-[3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanoyl]-1,3-dihydroquinoxalin-2-one is O=C1CN(C(=O)CC[C@H]2Cc3ccccc3NC2=O)c2ccccc2N1.
What is the InChIKey of 4-[3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanoyl]-1,3-dihydroquinoxalin-2-one?
The InChIKey is IWYREBIVFMIQCP-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H19N3O3/c24-18-12-23(17-8-4-3-7-16(17)21-18)19(25)10-9-14-11-13-5-1-2-6-15(13)22-20(14)26/h1-8,14H,9-12H2,(H,21,24)(H,22,26)/t14-/m0/s1.
What are the key properties of 4-[3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanoyl]-1,3-dihydroquinoxalin-2-one?
4-[3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanoyl]-1,3-dihydroquinoxalin-2-one has a molecular weight of 349.39 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanoyl]-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 31038718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).