methyl 4-[(6-chloro-2-methylquinolin-4-yl)amino]benzoate

C18H15ClN2O2 — CID 696493

IUPACmethyl 4-[(6-chloro-2-methylquinolin-4-yl)amino]benzoate
SMILESCOC(=O)c1ccc(Nc2cc(C)nc3ccc(Cl)cc23)cc1
InChIInChI=1S/C18H15ClN2O2/c1-11-9-17(15-10-13(19)5-8-16(15)20-11)21-14-6-3-12(4-7-14)18(22)23-2/h3-10H,1-2H3,(H,20,21)
InChIKeyUCNYVQXUMQETED-UHFFFAOYSA-N
MW326.78 g/mol
LogP4.73
Rot. Bonds3

About methyl 4-[(6-chloro-2-methylquinolin-4-yl)amino]benzoate

methyl 4-[(6-chloro-2-methylquinolin-4-yl)amino]benzoate (PubChem CID 696493) has the molecular formula C18H15ClN2O2 and a molecular weight of 326.78 g/mol. Its IUPAC name is methyl 4-[(6-chloro-2-methylquinolin-4-yl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[(6-chloro-2-methylquinolin-4-yl)amino]benzoate
PubChem CID696493
Molecular FormulaC18H15ClN2O2
Molecular Weight326.78 g/mol
Exact Mass326.08
IUPAC Namemethyl 4-[(6-chloro-2-methylquinolin-4-yl)amino]benzoate
SMILESCOC(=O)c1ccc(Nc2cc(C)nc3ccc(Cl)cc23)cc1
InChIInChI=1S/C18H15ClN2O2/c1-11-9-17(15-10-13(19)5-8-16(15)20-11)21-14-6-3-12(4-7-14)18(22)23-2/h3-10H,1-2H3,(H,20,21)
InChIKeyUCNYVQXUMQETED-UHFFFAOYSA-N
XLogP4.73
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(4-chloro-2-methylanilino)-2-methylquinoline-6-carboxylate
CID 730958
methyl 4-anilino-2-methylquinoline-6-carboxylate
CID 730938
6-chloro-2-methyl-N-(4-methylphenyl)quinolin-4-amine
CID 730830
ethyl 4-(4-chloroanilino)-2-methylquinoline-6-carboxylate;hydrochloride
CID 2919127
methyl 4-(3,4-dimethylanilino)-2-methylquinoline-6-carboxylate;hydrochloride
CID 2790970
methyl 4-[[6-chloro-2-(4-methoxycarbonylanilino)quinazolin-4-yl]amino]benzoate
CID 91359688
3-[(6-methoxycarbonyl-2-methylquinolin-4-yl)amino]benzoic acid
CID 730953
6-chloro-N-(3,4-dichlorophenyl)-2-methylquinolin-4-amine
CID 730833
6-chloro-N-(3,4-dimethoxyphenyl)-2-methylquinolin-4-amine
CID 23793112
methyl 2-methyl-4-(4-piperidin-1-ylanilino)quinoline-6-carboxylate
CID 23854503
methyl 4-(3-methoxyanilino)-2-methylquinoline-6-carboxylate
CID 730949
4-[4-[(4-chlorophenyl)methoxy]anilino]-2-methylquinoline-6-carboxylic acid;hydrochloride
CID 22694157

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(6-chloro-2-methylquinolin-4-yl)amino]benzoate?
The IUPAC name of methyl 4-[(6-chloro-2-methylquinolin-4-yl)amino]benzoate (CID 696493) is methyl 4-[(6-chloro-2-methylquinolin-4-yl)amino]benzoate.
What is the SMILES notation for methyl 4-[(6-chloro-2-methylquinolin-4-yl)amino]benzoate?
The canonical SMILES for methyl 4-[(6-chloro-2-methylquinolin-4-yl)amino]benzoate is COC(=O)c1ccc(Nc2cc(C)nc3ccc(Cl)cc23)cc1.
What is the InChIKey of methyl 4-[(6-chloro-2-methylquinolin-4-yl)amino]benzoate?
The InChIKey is UCNYVQXUMQETED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2/c1-11-9-17(15-10-13(19)5-8-16(15)20-11)21-14-6-3-12(4-7-14)18(22)23-2/h3-10H,1-2H3,(H,20,21).
What are the key properties of methyl 4-[(6-chloro-2-methylquinolin-4-yl)amino]benzoate?
methyl 4-[(6-chloro-2-methylquinolin-4-yl)amino]benzoate has a molecular weight of 326.78 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(6-chloro-2-methylquinolin-4-yl)amino]benzoate is sourced from PubChem (CID 696493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).