4-[4-[(4-chlorophenyl)methoxy]anilino]-2-methylquinoline-6-carboxylic acid;hydrochloride

C24H20Cl2N2O3 — CID 22694157

IUPAC4-[4-[(4-chlorophenyl)methoxy]anilino]-2-methylquinoline-6-carboxylic acid;hydrochloride
SMILESCc1cc(Nc2ccc(OCc3ccc(Cl)cc3)cc2)c2cc(C(=O)O)ccc2n1.Cl
InChIInChI=1S/C24H19ClN2O3.ClH/c1-15-12-23(21-13-17(24(28)29)4-11-22(21)26-15)27-19-7-9-20(10-8-19)30-14-16-2-5-18(25)6-3-16;/h2-13H,14H2,1H3,(H,26,27)(H,28,29);1H
InChIKeyBZQFMXFUSWPDCZ-UHFFFAOYSA-N
MW455.34 g/mol
LogP6.64
Rot. Bonds6

About 4-[4-[(4-chlorophenyl)methoxy]anilino]-2-methylquinoline-6-carboxylic acid;hydrochloride

4-[4-[(4-chlorophenyl)methoxy]anilino]-2-methylquinoline-6-carboxylic acid;hydrochloride (PubChem CID 22694157) has the molecular formula C24H20Cl2N2O3 and a molecular weight of 455.34 g/mol. Its IUPAC name is 4-[4-[(4-chlorophenyl)methoxy]anilino]-2-methylquinoline-6-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name4-[4-[(4-chlorophenyl)methoxy]anilino]-2-methylquinoline-6-carboxylic acid;hydrochloride
PubChem CID22694157
Molecular FormulaC24H20Cl2N2O3
Molecular Weight455.34 g/mol
Exact Mass454.09
IUPAC Name4-[4-[(4-chlorophenyl)methoxy]anilino]-2-methylquinoline-6-carboxylic acid;hydrochloride
SMILESCc1cc(Nc2ccc(OCc3ccc(Cl)cc3)cc2)c2cc(C(=O)O)ccc2n1.Cl
InChIInChI=1S/C24H19ClN2O3.ClH/c1-15-12-23(21-13-17(24(28)29)4-11-22(21)26-15)27-19-7-9-20(10-8-19)30-14-16-2-5-18(25)6-3-16;/h2-13H,14H2,1H3,(H,26,27)(H,28,29);1H
InChIKeyBZQFMXFUSWPDCZ-UHFFFAOYSA-N
XLogP6.64
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.34
LogP ≤ 56.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[4-[(4-chlorophenyl)methoxy]anilino]-2-methylquinoline-6-carboxylic acid;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-(4-chloroanilino)-2-methylquinoline-6-carboxylate;hydrochloride
CID 2919127
6-chloro-N-[4-[(2-chlorophenyl)methoxy]phenyl]-2-methylquinolin-4-amine;hydrochloride
CID 2790572
4-[(6-hydroxy-2-methylquinolin-4-yl)amino]benzoic acid;hydrochloride
CID 16876467
4-[(6-ethoxy-2-methylquinolin-4-yl)amino]-N-hydroxybenzamide
CID 176515048
4-[(6-methoxy-2-methylquinolin-4-yl)amino]benzoate
CID 3687425
6-chloro-2-methyl-N-(4-methylphenyl)quinolin-4-amine
CID 730830
methyl 4-anilino-2-methylquinoline-6-carboxylate
CID 730938
methyl 6-methyl-4-(4-phenylmethoxyanilino)quinoline-2-carboxylate
CID 53001303
3-[(6-methoxycarbonyl-2-methylquinolin-4-yl)amino]benzoic acid
CID 730953
2-methyl-4-[4-(4-methylpiperazin-1-yl)anilino]quinoline-6-carboxylic acid
CID 7138021
4-(4-chloro-2-methylanilino)-2-methylquinoline-6-carboxylate
CID 4257239
methyl 4-(3,4-dimethylanilino)-2-methylquinoline-6-carboxylate;hydrochloride
CID 2790970

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(4-chlorophenyl)methoxy]anilino]-2-methylquinoline-6-carboxylic acid;hydrochloride?
The IUPAC name of 4-[4-[(4-chlorophenyl)methoxy]anilino]-2-methylquinoline-6-carboxylic acid;hydrochloride (CID 22694157) is 4-[4-[(4-chlorophenyl)methoxy]anilino]-2-methylquinoline-6-carboxylic acid;hydrochloride.
What is the SMILES notation for 4-[4-[(4-chlorophenyl)methoxy]anilino]-2-methylquinoline-6-carboxylic acid;hydrochloride?
The canonical SMILES for 4-[4-[(4-chlorophenyl)methoxy]anilino]-2-methylquinoline-6-carboxylic acid;hydrochloride is Cc1cc(Nc2ccc(OCc3ccc(Cl)cc3)cc2)c2cc(C(=O)O)ccc2n1.Cl.
What is the InChIKey of 4-[4-[(4-chlorophenyl)methoxy]anilino]-2-methylquinoline-6-carboxylic acid;hydrochloride?
The InChIKey is BZQFMXFUSWPDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN2O3.ClH/c1-15-12-23(21-13-17(24(28)29)4-11-22(21)26-15)27-19-7-9-20(10-8-19)30-14-16-2-5-18(25)6-3-16;/h2-13H,14H2,1H3,(H,26,27)(H,28,29);1H.
What are the key properties of 4-[4-[(4-chlorophenyl)methoxy]anilino]-2-methylquinoline-6-carboxylic acid;hydrochloride?
4-[4-[(4-chlorophenyl)methoxy]anilino]-2-methylquinoline-6-carboxylic acid;hydrochloride has a molecular weight of 455.34 g/mol, XLogP of 6.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(4-chlorophenyl)methoxy]anilino]-2-methylquinoline-6-carboxylic acid;hydrochloride is sourced from PubChem (CID 22694157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).