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

C16H11ClN2O2 — CID 63537972

IUPAC4-(4-chloroanilino)quinoline-3-carboxylic acid
SMILESO=C(O)c1cnc2ccccc2c1Nc1ccc(Cl)cc1
InChIInChI=1S/C16H11ClN2O2/c17-10-5-7-11(8-6-10)19-15-12-3-1-2-4-14(12)18-9-13(15)16(20)21/h1-9H,(H,18,19)(H,20,21)
InChIKeyQOBUCVHTKAFTHS-UHFFFAOYSA-N
MW298.73 g/mol
LogP4.33
Rot. Bonds3

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

4-(4-chloroanilino)quinoline-3-carboxylic acid (PubChem CID 63537972) has the molecular formula C16H11ClN2O2 and a molecular weight of 298.73 g/mol. Its IUPAC name is 4-(4-chloroanilino)quinoline-3-carboxylic acid.

Molecular Properties

Compound Name4-(4-chloroanilino)quinoline-3-carboxylic acid
PubChem CID63537972
Molecular FormulaC16H11ClN2O2
Molecular Weight298.73 g/mol
Exact Mass298.05
IUPAC Name4-(4-chloroanilino)quinoline-3-carboxylic acid
SMILESO=C(O)c1cnc2ccccc2c1Nc1ccc(Cl)cc1
InChIInChI=1S/C16H11ClN2O2/c17-10-5-7-11(8-6-10)19-15-12-3-1-2-4-14(12)18-9-13(15)16(20)21/h1-9H,(H,18,19)(H,20,21)
InChIKeyQOBUCVHTKAFTHS-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-(4-carboxyanilino)quinoline-3-carboxylic acid
CID 7719142
4-(3-iodoanilino)quinoline-3-carboxylic acid
CID 63538814
4-(3-bromoanilino)quinoline-3-carboxylic acid
CID 22466647
6-chloro-4-[4-(dimethylamino)anilino]quinoline-3-carboxylic acid;hydrochloride
CID 20982489
4-(4-chlorophenoxy)quinoline-3-carboxylic acid
CID 61339884
4-(2-chloroprop-2-enylamino)quinoline-3-carboxylic acid
CID 113464690
4-(1-cyclopropylethylamino)quinoline-3-carboxylic acid
CID 55090979
6-(dimethylamino)-4-[4-(dimethylamino)anilino]quinoline-3-carboxylic acid
CID 7719227
[4-(4-bromoanilino)quinolin-3-yl]-thiomorpholin-4-ylmethanone
CID 53001674
ethyl 4-(4-acetamidoanilino)quinoline-3-carboxylate
CID 66715927
4-(4-methylanilino)quinoline-3-carbothioamide
CID 43669603
sodium;9-chloroacridine;bis(N-(4-chlorophenyl)acridin-9-amine);hydroxide;hydrochloride
CID 160972351

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloroanilino)quinoline-3-carboxylic acid?
The IUPAC name of 4-(4-chloroanilino)quinoline-3-carboxylic acid (CID 63537972) is 4-(4-chloroanilino)quinoline-3-carboxylic acid.
What is the SMILES notation for 4-(4-chloroanilino)quinoline-3-carboxylic acid?
The canonical SMILES for 4-(4-chloroanilino)quinoline-3-carboxylic acid is O=C(O)c1cnc2ccccc2c1Nc1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chloroanilino)quinoline-3-carboxylic acid?
The InChIKey is QOBUCVHTKAFTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2O2/c17-10-5-7-11(8-6-10)19-15-12-3-1-2-4-14(12)18-9-13(15)16(20)21/h1-9H,(H,18,19)(H,20,21).
What are the key properties of 4-(4-chloroanilino)quinoline-3-carboxylic acid?
4-(4-chloroanilino)quinoline-3-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-(4-chloroanilino)quinoline-3-carboxylic acid is sourced from PubChem (CID 63537972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).