methyl 4-(3-chloro-2-methylanilino)-6-methylquinoline-2-carboxylate

C19H17ClN2O2 — CID 53113265

IUPACmethyl 4-(3-chloro-2-methylanilino)-6-methylquinoline-2-carboxylate
SMILESCOC(=O)c1cc(Nc2cccc(Cl)c2C)c2cc(C)ccc2n1
InChIInChI=1S/C19H17ClN2O2/c1-11-7-8-16-13(9-11)17(10-18(22-16)19(23)24-3)21-15-6-4-5-14(20)12(15)2/h4-10H,1-3H3,(H,21,22)
InChIKeyXLVATXZSWVSZNS-UHFFFAOYSA-N
MW340.81 g/mol
LogP5.04
Rot. Bonds3

About methyl 4-(3-chloro-2-methylanilino)-6-methylquinoline-2-carboxylate

methyl 4-(3-chloro-2-methylanilino)-6-methylquinoline-2-carboxylate (PubChem CID 53113265) has the molecular formula C19H17ClN2O2 and a molecular weight of 340.81 g/mol. Its IUPAC name is methyl 4-(3-chloro-2-methylanilino)-6-methylquinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(3-chloro-2-methylanilino)-6-methylquinoline-2-carboxylate
PubChem CID53113265
Molecular FormulaC19H17ClN2O2
Molecular Weight340.81 g/mol
Exact Mass340.10
IUPAC Namemethyl 4-(3-chloro-2-methylanilino)-6-methylquinoline-2-carboxylate
SMILESCOC(=O)c1cc(Nc2cccc(Cl)c2C)c2cc(C)ccc2n1
InChIInChI=1S/C19H17ClN2O2/c1-11-7-8-16-13(9-11)17(10-18(22-16)19(23)24-3)21-15-6-4-5-14(20)12(15)2/h4-10H,1-3H3,(H,21,22)
InChIKeyXLVATXZSWVSZNS-UHFFFAOYSA-N
XLogP5.04
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.81
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(3-methoxyanilino)-6-methylquinoline-2-carboxylate
CID 53113257
methyl 4-(4-fluoro-2-methylanilino)-6-methylquinoline-2-carboxylate
CID 53113268
methyl 4-(3,4-dimethylanilino)-6-methylquinoline-2-carboxylate
CID 53113261
methyl 4-(2-chloroanilino)-6-ethoxyquinoline-2-carboxylate
CID 53002401
methyl 6-methyl-4-(4-phenylmethoxyanilino)quinoline-2-carboxylate
CID 53001303
methyl 4-(2-bromo-4-methylanilino)-6-fluoroquinoline-2-carboxylate
CID 53113296
methyl 6-fluoro-4-(2-methoxyanilino)quinoline-2-carboxylate
CID 53113277
methyl 4-(2-methoxyanilino)quinoline-2-carboxylate
CID 53113238
methyl 3-[(2,6-dimethylquinolin-4-yl)amino]benzoate;hydrochloride
CID 2789796
methyl 7-methyl-4-(methylamino)quinoline-2-carboxylate
CID 84626017
methyl 4-ethoxy-6-methylquinoline-2-carboxylate
CID 102941885
methyl 4-[2-(3-chloro-2-methylanilino)-2-oxoethoxy]-6,7-dimethoxyquinoline-2-carboxylate
CID 53113217

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-chloro-2-methylanilino)-6-methylquinoline-2-carboxylate?
The IUPAC name of methyl 4-(3-chloro-2-methylanilino)-6-methylquinoline-2-carboxylate (CID 53113265) is methyl 4-(3-chloro-2-methylanilino)-6-methylquinoline-2-carboxylate.
What is the SMILES notation for methyl 4-(3-chloro-2-methylanilino)-6-methylquinoline-2-carboxylate?
The canonical SMILES for methyl 4-(3-chloro-2-methylanilino)-6-methylquinoline-2-carboxylate is COC(=O)c1cc(Nc2cccc(Cl)c2C)c2cc(C)ccc2n1.
What is the InChIKey of methyl 4-(3-chloro-2-methylanilino)-6-methylquinoline-2-carboxylate?
The InChIKey is XLVATXZSWVSZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O2/c1-11-7-8-16-13(9-11)17(10-18(22-16)19(23)24-3)21-15-6-4-5-14(20)12(15)2/h4-10H,1-3H3,(H,21,22).
What are the key properties of methyl 4-(3-chloro-2-methylanilino)-6-methylquinoline-2-carboxylate?
methyl 4-(3-chloro-2-methylanilino)-6-methylquinoline-2-carboxylate has a molecular weight of 340.81 g/mol, XLogP of 5.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-chloro-2-methylanilino)-6-methylquinoline-2-carboxylate is sourced from PubChem (CID 53113265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).