2-oxo-3-(3-phenylpropyl)-1H-quinoxaline-6-carboxylic acid

C18H16N2O3 — CID 142706844

IUPAC2-oxo-3-(3-phenylpropyl)-1H-quinoxaline-6-carboxylic acid
SMILESO=C(O)c1ccc2[nH]c(=O)c(CCCc3ccccc3)nc2c1
InChIInChI=1S/C18H16N2O3/c21-17-15(8-4-7-12-5-2-1-3-6-12)19-16-11-13(18(22)23)9-10-14(16)20-17/h1-3,5-6,9-11H,4,7-8H2,(H,20,21)(H,22,23)
InChIKeyYELUZKKQZQTFMJ-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.80
Rot. Bonds5

About 2-oxo-3-(3-phenylpropyl)-1H-quinoxaline-6-carboxylic acid

2-oxo-3-(3-phenylpropyl)-1H-quinoxaline-6-carboxylic acid (PubChem CID 142706844) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is 2-oxo-3-(3-phenylpropyl)-1H-quinoxaline-6-carboxylic acid.

Molecular Properties

Compound Name2-oxo-3-(3-phenylpropyl)-1H-quinoxaline-6-carboxylic acid
PubChem CID142706844
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name2-oxo-3-(3-phenylpropyl)-1H-quinoxaline-6-carboxylic acid
SMILESO=C(O)c1ccc2[nH]c(=O)c(CCCc3ccccc3)nc2c1
InChIInChI=1S/C18H16N2O3/c21-17-15(8-4-7-12-5-2-1-3-6-12)19-16-11-13(18(22)23)9-10-14(16)20-17/h1-3,5-6,9-11H,4,7-8H2,(H,20,21)(H,22,23)
InChIKeyYELUZKKQZQTFMJ-UHFFFAOYSA-N
XLogP2.80
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-oxo-3-(3-phenylpropyl)-1H-quinoxaline-6-carboxylic acid 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-(oxan-2-yloxy)-2-oxo-3-(2-phenylethyl)-1H-quinoxaline-6-carboxamide
CID 71815483
N-hydroxy-3-oxo-2-(2-phenylethyl)-4H-quinoxaline-6-carboxamide
CID 71815543
N-(oxan-2-yloxy)-3-oxo-2-(2-phenylethyl)-4H-quinoxaline-6-carboxamide
CID 71815541
2-oxo-3-thiophen-2-yl-1H-quinoxaline-6-carboxylic acid
CID 21083646
3-ethyl-6-(2-methylpropanoyl)-1H-quinoxalin-2-one
CID 58442705
2-[2-[4-(5-phenylpentoxy)phenyl]ethyl]-3H-benzimidazole-5-carboxylic acid
CID 10296199
N-hydroxy-1-methyl-2-oxo-3-(3-phenylpropyl)quinoxaline-6-carboxamide
CID 71815611
3-[2-[3-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]ethyl]-1H-quinoxalin-2-one
CID 50979819
benzene-1,2-diamine;3-benzyl-1H-quinoxalin-2-one;2-oxo-3-phenylpropanoic acid
CID 160851609
phenyl 3-[3-(3-oxo-4H-quinoxalin-2-yl)propanoyloxymethyl]benzoate
CID 1300594
2-(2-phenylethyl)indazole-6-carboxylic acid
CID 176884936
(4-acetylphenyl)methyl 3-(3-oxo-4H-quinoxalin-2-yl)propanoate
CID 1300937

Frequently Asked Questions

What is the IUPAC name of 2-oxo-3-(3-phenylpropyl)-1H-quinoxaline-6-carboxylic acid?
The IUPAC name of 2-oxo-3-(3-phenylpropyl)-1H-quinoxaline-6-carboxylic acid (CID 142706844) is 2-oxo-3-(3-phenylpropyl)-1H-quinoxaline-6-carboxylic acid.
What is the SMILES notation for 2-oxo-3-(3-phenylpropyl)-1H-quinoxaline-6-carboxylic acid?
The canonical SMILES for 2-oxo-3-(3-phenylpropyl)-1H-quinoxaline-6-carboxylic acid is O=C(O)c1ccc2[nH]c(=O)c(CCCc3ccccc3)nc2c1.
What is the InChIKey of 2-oxo-3-(3-phenylpropyl)-1H-quinoxaline-6-carboxylic acid?
The InChIKey is YELUZKKQZQTFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c21-17-15(8-4-7-12-5-2-1-3-6-12)19-16-11-13(18(22)23)9-10-14(16)20-17/h1-3,5-6,9-11H,4,7-8H2,(H,20,21)(H,22,23).
What are the key properties of 2-oxo-3-(3-phenylpropyl)-1H-quinoxaline-6-carboxylic acid?
2-oxo-3-(3-phenylpropyl)-1H-quinoxaline-6-carboxylic acid has a molecular weight of 308.34 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-3-(3-phenylpropyl)-1H-quinoxaline-6-carboxylic acid is sourced from PubChem (CID 142706844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).