2-(2-methylanilino)quinoline-4-carboxylic acid

C17H14N2O2 — CID 3075054

IUPAC2-(2-methylanilino)quinoline-4-carboxylic acid
SMILESCc1ccccc1Nc1cc(C(=O)O)c2ccccc2n1
InChIInChI=1S/C17H14N2O2/c1-11-6-2-4-8-14(11)18-16-10-13(17(20)21)12-7-3-5-9-15(12)19-16/h2-10H,1H3,(H,18,19)(H,20,21)
InChIKeyBXWFNZMPQZJWJP-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.99
Rot. Bonds3

About 2-(2-methylanilino)quinoline-4-carboxylic acid

2-(2-methylanilino)quinoline-4-carboxylic acid (PubChem CID 3075054) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-(2-methylanilino)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-methylanilino)quinoline-4-carboxylic acid
PubChem CID3075054
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name2-(2-methylanilino)quinoline-4-carboxylic acid
SMILESCc1ccccc1Nc1cc(C(=O)O)c2ccccc2n1
InChIInChI=1S/C17H14N2O2/c1-11-6-2-4-8-14(11)18-16-10-13(17(20)21)12-7-3-5-9-15(12)19-16/h2-10H,1H3,(H,18,19)(H,20,21)
InChIKeyBXWFNZMPQZJWJP-UHFFFAOYSA-N
XLogP3.99
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylanilino)quinoline-4-carboxylic acid?
The IUPAC name of 2-(2-methylanilino)quinoline-4-carboxylic acid (CID 3075054) is 2-(2-methylanilino)quinoline-4-carboxylic acid.
What is the SMILES notation for 2-(2-methylanilino)quinoline-4-carboxylic acid?
The canonical SMILES for 2-(2-methylanilino)quinoline-4-carboxylic acid is Cc1ccccc1Nc1cc(C(=O)O)c2ccccc2n1.
What is the InChIKey of 2-(2-methylanilino)quinoline-4-carboxylic acid?
The InChIKey is BXWFNZMPQZJWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c1-11-6-2-4-8-14(11)18-16-10-13(17(20)21)12-7-3-5-9-15(12)19-16/h2-10H,1H3,(H,18,19)(H,20,21).
What are the key properties of 2-(2-methylanilino)quinoline-4-carboxylic acid?
2-(2-methylanilino)quinoline-4-carboxylic acid has a molecular weight of 278.31 g/mol, XLogP of 3.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylanilino)quinoline-4-carboxylic acid is sourced from PubChem (CID 3075054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).