2-(4-methoxyphenyl)-4-oxo-1H-quinoline-6-carboxylic acid

C17H13NO4 — CID 13421655

IUPAC2-(4-methoxyphenyl)-4-oxo-1H-quinoline-6-carboxylic acid
SMILESCOc1ccc(-c2cc(=O)c3cc(C(=O)O)ccc3[nH]2)cc1
InChIInChI=1S/C17H13NO4/c1-22-12-5-2-10(3-6-12)15-9-16(19)13-8-11(17(20)21)4-7-14(13)18-15/h2-9H,1H3,(H,18,19)(H,20,21)
InChIKeySIIOLIAKGNVRHT-UHFFFAOYSA-N
MW295.29 g/mol
LogP2.90
Rot. Bonds3

About 2-(4-methoxyphenyl)-4-oxo-1H-quinoline-6-carboxylic acid

2-(4-methoxyphenyl)-4-oxo-1H-quinoline-6-carboxylic acid (PubChem CID 13421655) has the molecular formula C17H13NO4 and a molecular weight of 295.29 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-4-oxo-1H-quinoline-6-carboxylic acid.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-4-oxo-1H-quinoline-6-carboxylic acid
PubChem CID13421655
Molecular FormulaC17H13NO4
Molecular Weight295.29 g/mol
Exact Mass295.08
IUPAC Name2-(4-methoxyphenyl)-4-oxo-1H-quinoline-6-carboxylic acid
SMILESCOc1ccc(-c2cc(=O)c3cc(C(=O)O)ccc3[nH]2)cc1
InChIInChI=1S/C17H13NO4/c1-22-12-5-2-10(3-6-12)15-9-16(19)13-8-11(17(20)21)4-7-14(13)18-15/h2-9H,1H3,(H,18,19)(H,20,21)
InChIKeySIIOLIAKGNVRHT-UHFFFAOYSA-N
XLogP2.90
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-4-oxo-1H-quinoline-6-carboxylic acid?
The IUPAC name of 2-(4-methoxyphenyl)-4-oxo-1H-quinoline-6-carboxylic acid (CID 13421655) is 2-(4-methoxyphenyl)-4-oxo-1H-quinoline-6-carboxylic acid.
What is the SMILES notation for 2-(4-methoxyphenyl)-4-oxo-1H-quinoline-6-carboxylic acid?
The canonical SMILES for 2-(4-methoxyphenyl)-4-oxo-1H-quinoline-6-carboxylic acid is COc1ccc(-c2cc(=O)c3cc(C(=O)O)ccc3[nH]2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-4-oxo-1H-quinoline-6-carboxylic acid?
The InChIKey is SIIOLIAKGNVRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO4/c1-22-12-5-2-10(3-6-12)15-9-16(19)13-8-11(17(20)21)4-7-14(13)18-15/h2-9H,1H3,(H,18,19)(H,20,21).
What are the key properties of 2-(4-methoxyphenyl)-4-oxo-1H-quinoline-6-carboxylic acid?
2-(4-methoxyphenyl)-4-oxo-1H-quinoline-6-carboxylic acid has a molecular weight of 295.29 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-4-oxo-1H-quinoline-6-carboxylic acid is sourced from PubChem (CID 13421655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).