1-(4-methoxyphenyl)-4-oxoquinoline-3-carboxylic acid

C17H13NO4 — CID 71734785

IUPAC1-(4-methoxyphenyl)-4-oxoquinoline-3-carboxylic acid
SMILESCOc1ccc(-n2cc(C(=O)O)c(=O)c3ccccc32)cc1
InChIInChI=1S/C17H13NO4/c1-22-12-8-6-11(7-9-12)18-10-14(17(20)21)16(19)13-4-2-3-5-15(13)18/h2-10H,1H3,(H,20,21)
InChIKeyPRNRJTMPDQNRPK-UHFFFAOYSA-N
MW295.29 g/mol
LogP2.70
Rot. Bonds3

About 1-(4-methoxyphenyl)-4-oxoquinoline-3-carboxylic acid

1-(4-methoxyphenyl)-4-oxoquinoline-3-carboxylic acid (PubChem CID 71734785) has the molecular formula C17H13NO4 and a molecular weight of 295.29 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-4-oxoquinoline-3-carboxylic acid
PubChem CID71734785
Molecular FormulaC17H13NO4
Molecular Weight295.29 g/mol
Exact Mass295.08
IUPAC Name1-(4-methoxyphenyl)-4-oxoquinoline-3-carboxylic acid
SMILESCOc1ccc(-n2cc(C(=O)O)c(=O)c3ccccc32)cc1
InChIInChI=1S/C17H13NO4/c1-22-12-8-6-11(7-9-12)18-10-14(17(20)21)16(19)13-4-2-3-5-15(13)18/h2-10H,1H3,(H,20,21)
InChIKeyPRNRJTMPDQNRPK-UHFFFAOYSA-N
XLogP2.70
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 1-(4-methoxyphenyl)-4-oxoquinoline-3-carboxylic acid (CID 71734785) is 1-(4-methoxyphenyl)-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 1-(4-methoxyphenyl)-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 1-(4-methoxyphenyl)-4-oxoquinoline-3-carboxylic acid is COc1ccc(-n2cc(C(=O)O)c(=O)c3ccccc32)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-4-oxoquinoline-3-carboxylic acid?
The InChIKey is PRNRJTMPDQNRPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO4/c1-22-12-8-6-11(7-9-12)18-10-14(17(20)21)16(19)13-4-2-3-5-15(13)18/h2-10H,1H3,(H,20,21).
What are the key properties of 1-(4-methoxyphenyl)-4-oxoquinoline-3-carboxylic acid?
1-(4-methoxyphenyl)-4-oxoquinoline-3-carboxylic acid has a molecular weight of 295.29 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 71734785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).