3-hydroxy-2-(4-methoxyphenyl)-4-oxo-1H-quinoline-7-carboxylic acid

C17H13NO5 — CID 153379054

IUPAC3-hydroxy-2-(4-methoxyphenyl)-4-oxo-1H-quinoline-7-carboxylic acid
SMILESCOc1ccc(-c2[nH]c3cc(C(=O)O)ccc3c(=O)c2O)cc1
InChIInChI=1S/C17H13NO5/c1-23-11-5-2-9(3-6-11)14-16(20)15(19)12-7-4-10(17(21)22)8-13(12)18-14/h2-8,20H,1H3,(H,18,19)(H,21,22)
InChIKeyKHERVZBZQITITB-UHFFFAOYSA-N
MW311.29 g/mol
LogP2.61
Rot. Bonds3

About 3-hydroxy-2-(4-methoxyphenyl)-4-oxo-1H-quinoline-7-carboxylic acid

3-hydroxy-2-(4-methoxyphenyl)-4-oxo-1H-quinoline-7-carboxylic acid (PubChem CID 153379054) has the molecular formula C17H13NO5 and a molecular weight of 311.29 g/mol. Its IUPAC name is 3-hydroxy-2-(4-methoxyphenyl)-4-oxo-1H-quinoline-7-carboxylic acid.

Molecular Properties

Compound Name3-hydroxy-2-(4-methoxyphenyl)-4-oxo-1H-quinoline-7-carboxylic acid
PubChem CID153379054
Molecular FormulaC17H13NO5
Molecular Weight311.29 g/mol
Exact Mass311.08
IUPAC Name3-hydroxy-2-(4-methoxyphenyl)-4-oxo-1H-quinoline-7-carboxylic acid
SMILESCOc1ccc(-c2[nH]c3cc(C(=O)O)ccc3c(=O)c2O)cc1
InChIInChI=1S/C17H13NO5/c1-23-11-5-2-9(3-6-11)14-16(20)15(19)12-7-4-10(17(21)22)8-13(12)18-14/h2-8,20H,1H3,(H,18,19)(H,21,22)
InChIKeyKHERVZBZQITITB-UHFFFAOYSA-N
XLogP2.61
TPSA99.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.29
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-(4-methoxyphenyl)-4-oxo-1H-quinoline-7-carboxylic acid?
The IUPAC name of 3-hydroxy-2-(4-methoxyphenyl)-4-oxo-1H-quinoline-7-carboxylic acid (CID 153379054) is 3-hydroxy-2-(4-methoxyphenyl)-4-oxo-1H-quinoline-7-carboxylic acid.
What is the SMILES notation for 3-hydroxy-2-(4-methoxyphenyl)-4-oxo-1H-quinoline-7-carboxylic acid?
The canonical SMILES for 3-hydroxy-2-(4-methoxyphenyl)-4-oxo-1H-quinoline-7-carboxylic acid is COc1ccc(-c2[nH]c3cc(C(=O)O)ccc3c(=O)c2O)cc1.
What is the InChIKey of 3-hydroxy-2-(4-methoxyphenyl)-4-oxo-1H-quinoline-7-carboxylic acid?
The InChIKey is KHERVZBZQITITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO5/c1-23-11-5-2-9(3-6-11)14-16(20)15(19)12-7-4-10(17(21)22)8-13(12)18-14/h2-8,20H,1H3,(H,18,19)(H,21,22).
What are the key properties of 3-hydroxy-2-(4-methoxyphenyl)-4-oxo-1H-quinoline-7-carboxylic acid?
3-hydroxy-2-(4-methoxyphenyl)-4-oxo-1H-quinoline-7-carboxylic acid has a molecular weight of 311.29 g/mol, XLogP of 2.61, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(4-methoxyphenyl)-4-oxo-1H-quinoline-7-carboxylic acid is sourced from PubChem (CID 153379054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).