4-(3-methoxyanilino)quinoline-3-carboxylic acid

C17H14N2O3 — CID 7719048

IUPAC4-(3-methoxyanilino)quinoline-3-carboxylic acid
SMILESCOc1cccc(Nc2c(C(=O)O)cnc3ccccc23)c1
InChIInChI=1S/C17H14N2O3/c1-22-12-6-4-5-11(9-12)19-16-13-7-2-3-8-15(13)18-10-14(16)17(20)21/h2-10H,1H3,(H,18,19)(H,20,21)
InChIKeyWJQQARJMAMDCGH-UHFFFAOYSA-N
MW294.31 g/mol
LogP3.69
Rot. Bonds4

About 4-(3-methoxyanilino)quinoline-3-carboxylic acid

4-(3-methoxyanilino)quinoline-3-carboxylic acid (PubChem CID 7719048) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is 4-(3-methoxyanilino)quinoline-3-carboxylic acid.

Molecular Properties

Compound Name4-(3-methoxyanilino)quinoline-3-carboxylic acid
PubChem CID7719048
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Name4-(3-methoxyanilino)quinoline-3-carboxylic acid
SMILESCOc1cccc(Nc2c(C(=O)O)cnc3ccccc23)c1
InChIInChI=1S/C17H14N2O3/c1-22-12-6-4-5-11(9-12)19-16-13-7-2-3-8-15(13)18-10-14(16)17(20)21/h2-10H,1H3,(H,18,19)(H,20,21)
InChIKeyWJQQARJMAMDCGH-UHFFFAOYSA-N
XLogP3.69
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyanilino)quinoline-3-carboxylic acid?
The IUPAC name of 4-(3-methoxyanilino)quinoline-3-carboxylic acid (CID 7719048) is 4-(3-methoxyanilino)quinoline-3-carboxylic acid.
What is the SMILES notation for 4-(3-methoxyanilino)quinoline-3-carboxylic acid?
The canonical SMILES for 4-(3-methoxyanilino)quinoline-3-carboxylic acid is COc1cccc(Nc2c(C(=O)O)cnc3ccccc23)c1.
What is the InChIKey of 4-(3-methoxyanilino)quinoline-3-carboxylic acid?
The InChIKey is WJQQARJMAMDCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3/c1-22-12-6-4-5-11(9-12)19-16-13-7-2-3-8-15(13)18-10-14(16)17(20)21/h2-10H,1H3,(H,18,19)(H,20,21).
What are the key properties of 4-(3-methoxyanilino)quinoline-3-carboxylic acid?
4-(3-methoxyanilino)quinoline-3-carboxylic acid has a molecular weight of 294.31 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyanilino)quinoline-3-carboxylic acid is sourced from PubChem (CID 7719048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).