3-oxo-4-(4-propoxyphenyl)quinoxaline-2-carboxylic acid

C18H16N2O4 — CID 154665130

IUPAC3-oxo-4-(4-propoxyphenyl)quinoxaline-2-carboxylic acid
SMILESCCCOc1ccc(-n2c(=O)c(C(=O)O)nc3ccccc32)cc1
InChIInChI=1S/C18H16N2O4/c1-2-11-24-13-9-7-12(8-10-13)20-15-6-4-3-5-14(15)19-16(17(20)21)18(22)23/h3-10H,2,11H2,1H3,(H,22,23)
InChIKeyXMGWSRBSVYCKTN-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.87
Rot. Bonds5

About 3-oxo-4-(4-propoxyphenyl)quinoxaline-2-carboxylic acid

3-oxo-4-(4-propoxyphenyl)quinoxaline-2-carboxylic acid (PubChem CID 154665130) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is 3-oxo-4-(4-propoxyphenyl)quinoxaline-2-carboxylic acid.

Molecular Properties

Compound Name3-oxo-4-(4-propoxyphenyl)quinoxaline-2-carboxylic acid
PubChem CID154665130
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Name3-oxo-4-(4-propoxyphenyl)quinoxaline-2-carboxylic acid
SMILESCCCOc1ccc(-n2c(=O)c(C(=O)O)nc3ccccc32)cc1
InChIInChI=1S/C18H16N2O4/c1-2-11-24-13-9-7-12(8-10-13)20-15-6-4-3-5-14(15)19-16(17(20)21)18(22)23/h3-10H,2,11H2,1H3,(H,22,23)
InChIKeyXMGWSRBSVYCKTN-UHFFFAOYSA-N
XLogP2.87
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-phenyl-2-propoxybenzimidazole
CID 67816622
1-(4-ethoxyphenyl)benzimidazol-2-amine
CID 43148828
(3R)-3-[2-(hydroxymethyl)benzimidazol-1-yl]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
CID 51577611
3-[4-[3-(hexylamino)propoxy]phenyl]-2-methylquinazolin-4-one
CID 141120873
1-[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanyl-3,3-dimethylbutan-2-one
CID 7224412
8-chloro-4-(4-ethylphenyl)-3-oxoquinoxaline-2-carboxylic acid
CID 154665146
benzyl 3-[4-(4-methoxyphenyl)-3-oxoquinoxalin-2-yl]propanoate
CID 7203672
3-[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanylpropanamide
CID 46689209
3-[4-(1-methylbenzimidazol-2-yl)phenoxy]propanoic acid
CID 167855437
N-(4-methoxyphenyl)-3-[4-(4-methoxyphenyl)-3-oxoquinoxalin-2-yl]propanamide
CID 17447565
propyl 2-amino-1-(4-ethoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 2021301
2-methyl-1-[4-(3-methylbut-2-enoxy)phenyl]benzimidazole
CID 134102980

Frequently Asked Questions

What is the IUPAC name of 3-oxo-4-(4-propoxyphenyl)quinoxaline-2-carboxylic acid?
The IUPAC name of 3-oxo-4-(4-propoxyphenyl)quinoxaline-2-carboxylic acid (CID 154665130) is 3-oxo-4-(4-propoxyphenyl)quinoxaline-2-carboxylic acid.
What is the SMILES notation for 3-oxo-4-(4-propoxyphenyl)quinoxaline-2-carboxylic acid?
The canonical SMILES for 3-oxo-4-(4-propoxyphenyl)quinoxaline-2-carboxylic acid is CCCOc1ccc(-n2c(=O)c(C(=O)O)nc3ccccc32)cc1.
What is the InChIKey of 3-oxo-4-(4-propoxyphenyl)quinoxaline-2-carboxylic acid?
The InChIKey is XMGWSRBSVYCKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-2-11-24-13-9-7-12(8-10-13)20-15-6-4-3-5-14(15)19-16(17(20)21)18(22)23/h3-10H,2,11H2,1H3,(H,22,23).
What are the key properties of 3-oxo-4-(4-propoxyphenyl)quinoxaline-2-carboxylic acid?
3-oxo-4-(4-propoxyphenyl)quinoxaline-2-carboxylic acid has a molecular weight of 324.34 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-4-(4-propoxyphenyl)quinoxaline-2-carboxylic acid is sourced from PubChem (CID 154665130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).