4-(4-chloro-2-methylanilino)-2-methylquinoline-6-carboxylate

C18H14ClN2O2- — CID 4257239

IUPAC4-(4-chloro-2-methylanilino)-2-methylquinoline-6-carboxylate
SMILESCc1cc(Nc2ccc(Cl)cc2C)c2cc(C(=O)[O-])ccc2n1
InChIInChI=1S/C18H15ClN2O2/c1-10-7-13(19)4-6-15(10)21-17-8-11(2)20-16-5-3-12(18(22)23)9-14(16)17/h3-9H,1-2H3,(H,20,21)(H,22,23)/p-1
InChIKeyYMZRZZLNRCKKOW-UHFFFAOYSA-M
MW325.78 g/mol
LogP3.61
Rot. Bonds3

About 4-(4-chloro-2-methylanilino)-2-methylquinoline-6-carboxylate

4-(4-chloro-2-methylanilino)-2-methylquinoline-6-carboxylate (PubChem CID 4257239) has the molecular formula C18H14ClN2O2- and a molecular weight of 325.78 g/mol. Its IUPAC name is 4-(4-chloro-2-methylanilino)-2-methylquinoline-6-carboxylate.

Molecular Properties

Compound Name4-(4-chloro-2-methylanilino)-2-methylquinoline-6-carboxylate
PubChem CID4257239
Molecular FormulaC18H14ClN2O2-
Molecular Weight325.78 g/mol
Exact Mass325.07
IUPAC Name4-(4-chloro-2-methylanilino)-2-methylquinoline-6-carboxylate
SMILESCc1cc(Nc2ccc(Cl)cc2C)c2cc(C(=O)[O-])ccc2n1
InChIInChI=1S/C18H15ClN2O2/c1-10-7-13(19)4-6-15(10)21-17-8-11(2)20-16-5-3-12(18(22)23)9-14(16)17/h3-9H,1-2H3,(H,20,21)(H,22,23)/p-1
InChIKeyYMZRZZLNRCKKOW-UHFFFAOYSA-M
XLogP3.61
TPSA65.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.78
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(4-chloro-2-methylanilino)-2-methylquinoline-6-carboxylate 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

methyl 4-(4-chloro-2-methylanilino)-2-methylquinoline-6-carboxylate
CID 730958
4-(2,4-dimethylanilino)-2-methylquinoline-6-carboxylic acid
CID 7719183
methyl 4-[(6-chloro-2-methylquinolin-4-yl)amino]benzoate
CID 696493
4-[(6-methoxy-2-methylquinolin-4-yl)amino]benzoate
CID 3687425
ethyl 4-(4-chloroanilino)-2-methylquinoline-6-carboxylate;hydrochloride
CID 2919127
6-chloro-2-methyl-N-(4-methylphenyl)quinolin-4-amine
CID 730830
4-[(6-chloro-1,3-benzothiazol-2-yl)amino]-3-methylbenzoic acid
CID 63527636
methyl 4-anilino-2-methylquinoline-6-carboxylate
CID 730938
4-[4-[(4-chlorophenyl)methoxy]anilino]-2-methylquinoline-6-carboxylic acid;hydrochloride
CID 22694157
6-chloro-N-(3,4-dichlorophenyl)-2-methylquinolin-4-amine
CID 730833
6-chloro-N-(5-chloro-2-methoxyphenyl)-2-methylquinolin-4-amine;hydrochloride
CID 2790562
4-[(6-hydroxy-2-methylquinolin-4-yl)amino]benzoic acid;hydrochloride
CID 16876467

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-methylanilino)-2-methylquinoline-6-carboxylate?
The IUPAC name of 4-(4-chloro-2-methylanilino)-2-methylquinoline-6-carboxylate (CID 4257239) is 4-(4-chloro-2-methylanilino)-2-methylquinoline-6-carboxylate.
What is the SMILES notation for 4-(4-chloro-2-methylanilino)-2-methylquinoline-6-carboxylate?
The canonical SMILES for 4-(4-chloro-2-methylanilino)-2-methylquinoline-6-carboxylate is Cc1cc(Nc2ccc(Cl)cc2C)c2cc(C(=O)[O-])ccc2n1.
What is the InChIKey of 4-(4-chloro-2-methylanilino)-2-methylquinoline-6-carboxylate?
The InChIKey is YMZRZZLNRCKKOW-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H15ClN2O2/c1-10-7-13(19)4-6-15(10)21-17-8-11(2)20-16-5-3-12(18(22)23)9-14(16)17/h3-9H,1-2H3,(H,20,21)(H,22,23)/p-1.
What are the key properties of 4-(4-chloro-2-methylanilino)-2-methylquinoline-6-carboxylate?
4-(4-chloro-2-methylanilino)-2-methylquinoline-6-carboxylate has a molecular weight of 325.78 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-methylanilino)-2-methylquinoline-6-carboxylate is sourced from PubChem (CID 4257239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).