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

C16H11ClN2O2 — CID 63538967

IUPAC4-(2-chloroanilino)quinoline-2-carboxylic acid
SMILESO=C(O)c1cc(Nc2ccccc2Cl)c2ccccc2n1
InChIInChI=1S/C16H11ClN2O2/c17-11-6-2-4-8-13(11)19-14-9-15(16(20)21)18-12-7-3-1-5-10(12)14/h1-9H,(H,18,19)(H,20,21)
InChIKeyHIHXSOBFBWBKEA-UHFFFAOYSA-N
MW298.73 g/mol
LogP4.33
Rot. Bonds3

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

4-(2-chloroanilino)quinoline-2-carboxylic acid (PubChem CID 63538967) has the molecular formula C16H11ClN2O2 and a molecular weight of 298.73 g/mol. Its IUPAC name is 4-(2-chloroanilino)quinoline-2-carboxylic acid.

Molecular Properties

Compound Name4-(2-chloroanilino)quinoline-2-carboxylic acid
PubChem CID63538967
Molecular FormulaC16H11ClN2O2
Molecular Weight298.73 g/mol
Exact Mass298.05
IUPAC Name4-(2-chloroanilino)quinoline-2-carboxylic acid
SMILESO=C(O)c1cc(Nc2ccccc2Cl)c2ccccc2n1
InChIInChI=1S/C16H11ClN2O2/c17-11-6-2-4-8-13(11)19-14-9-15(16(20)21)18-12-7-3-1-5-10(12)14/h1-9H,(H,18,19)(H,20,21)
InChIKeyHIHXSOBFBWBKEA-UHFFFAOYSA-N
XLogP4.33
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.73
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-methylbutan-2-ylamino)quinoline-2-carboxylic acid
CID 55185061
4-(2,2-dimethylbutylamino)quinoline-2-carboxylic acid
CID 103462060
4-[(1-methylpyrazol-3-yl)amino]quinoline-2-carboxylic acid
CID 79779480
4-[(5-methyl-3-pyridinyl)amino]quinoline-2-carboxylic acid
CID 107585776
4-(3,3,3-trifluoropropylamino)quinoline-2-carboxylic acid
CID 63377479
methyl 4-(2-chloroanilino)-6-ethoxyquinoline-2-carboxylate
CID 53002401
4-(2-chloroanilino)-3-fluorobenzoic acid
CID 82304224
methyl 4-(2-methoxyanilino)quinoline-2-carboxylate
CID 53113238
4-aminoquinoline-2-carboxylic acid;hydrochloride
CID 171379335
4-(2,2,3,3-tetrafluoropropylamino)quinoline-2-carboxylic acid
CID 106293362
4-(2-acetamidoethylamino)quinoline-2-carboxylic acid
CID 63373952
4-(morpholin-4-ylamino)quinoline-2-carboxylic acid
CID 83026481

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloroanilino)quinoline-2-carboxylic acid?
The IUPAC name of 4-(2-chloroanilino)quinoline-2-carboxylic acid (CID 63538967) is 4-(2-chloroanilino)quinoline-2-carboxylic acid.
What is the SMILES notation for 4-(2-chloroanilino)quinoline-2-carboxylic acid?
The canonical SMILES for 4-(2-chloroanilino)quinoline-2-carboxylic acid is O=C(O)c1cc(Nc2ccccc2Cl)c2ccccc2n1.
What is the InChIKey of 4-(2-chloroanilino)quinoline-2-carboxylic acid?
The InChIKey is HIHXSOBFBWBKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2O2/c17-11-6-2-4-8-13(11)19-14-9-15(16(20)21)18-12-7-3-1-5-10(12)14/h1-9H,(H,18,19)(H,20,21).
What are the key properties of 4-(2-chloroanilino)quinoline-2-carboxylic acid?
4-(2-chloroanilino)quinoline-2-carboxylic acid has a molecular weight of 298.73 g/mol, XLogP of 4.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloroanilino)quinoline-2-carboxylic acid is sourced from PubChem (CID 63538967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).