methyl 8-chloro-4-(2,5-dimethoxyanilino)quinoline-2-carboxylate

C19H17ClN2O4 — CID 53113369

IUPACmethyl 8-chloro-4-(2,5-dimethoxyanilino)quinoline-2-carboxylate
SMILESCOC(=O)c1cc(Nc2cc(OC)ccc2OC)c2cccc(Cl)c2n1
InChIInChI=1S/C19H17ClN2O4/c1-24-11-7-8-17(25-2)15(9-11)21-14-10-16(19(23)26-3)22-18-12(14)5-4-6-13(18)20/h4-10H,1-3H3,(H,21,22)
InChIKeyHCBIPOHVSXWWBO-UHFFFAOYSA-N
MW372.81 g/mol
LogP4.44
Rot. Bonds5

About methyl 8-chloro-4-(2,5-dimethoxyanilino)quinoline-2-carboxylate

methyl 8-chloro-4-(2,5-dimethoxyanilino)quinoline-2-carboxylate (PubChem CID 53113369) has the molecular formula C19H17ClN2O4 and a molecular weight of 372.81 g/mol. Its IUPAC name is methyl 8-chloro-4-(2,5-dimethoxyanilino)quinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 8-chloro-4-(2,5-dimethoxyanilino)quinoline-2-carboxylate
PubChem CID53113369
Molecular FormulaC19H17ClN2O4
Molecular Weight372.81 g/mol
Exact Mass372.09
IUPAC Namemethyl 8-chloro-4-(2,5-dimethoxyanilino)quinoline-2-carboxylate
SMILESCOC(=O)c1cc(Nc2cc(OC)ccc2OC)c2cccc(Cl)c2n1
InChIInChI=1S/C19H17ClN2O4/c1-24-11-7-8-17(25-2)15(9-11)21-14-10-16(19(23)26-3)22-18-12(14)5-4-6-13(18)20/h4-10H,1-3H3,(H,21,22)
InChIKeyHCBIPOHVSXWWBO-UHFFFAOYSA-N
XLogP4.44
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.81
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 8-chloro-4-(2,5-dimethoxyanilino)quinoline-2-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-(2,5-dimethoxyanilino)-8-methylquinoline-2-carboxylate
CID 53113332
methyl 8-chloro-4-methoxyquinoline-2-carboxylate
CID 53419812
dimethyl 8-chloroquinoline-2,4-dicarboxylate
CID 118171241
methyl 4-(3-chloroanilino)-8-methoxyquinoline-2-carboxylate
CID 53113309
methyl 6-[(2,5-dimethoxyphenyl)carbamoyl]pyridine-2-carboxylate
CID 46394490
methyl 4-(2-methoxyanilino)quinoline-2-carboxylate
CID 53113238
methyl 8-fluoro-4-(2-fluoroanilino)quinoline-2-carboxylate
CID 53113340
6-(2,5-dimethoxyanilino)pyridine-2-carboxylic acid
CID 62254625
8-chloro-2-(2,5-dimethoxyphenyl)quinoline-4-carbonyl chloride
CID 46779499
2-chloro-6-(2,5-dimethoxyanilino)pyridine-4-carboxylic acid
CID 43166932
ethyl 4-(2,5-dimethoxyanilino)-8-methoxyquinoline-3-carboxylate
CID 22333868
N-(2-chlorophenyl)-5-(2,5-dimethoxyanilino)pyridine-2-carboxamide
CID 109199091

Frequently Asked Questions

What is the IUPAC name of methyl 8-chloro-4-(2,5-dimethoxyanilino)quinoline-2-carboxylate?
The IUPAC name of methyl 8-chloro-4-(2,5-dimethoxyanilino)quinoline-2-carboxylate (CID 53113369) is methyl 8-chloro-4-(2,5-dimethoxyanilino)quinoline-2-carboxylate.
What is the SMILES notation for methyl 8-chloro-4-(2,5-dimethoxyanilino)quinoline-2-carboxylate?
The canonical SMILES for methyl 8-chloro-4-(2,5-dimethoxyanilino)quinoline-2-carboxylate is COC(=O)c1cc(Nc2cc(OC)ccc2OC)c2cccc(Cl)c2n1.
What is the InChIKey of methyl 8-chloro-4-(2,5-dimethoxyanilino)quinoline-2-carboxylate?
The InChIKey is HCBIPOHVSXWWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O4/c1-24-11-7-8-17(25-2)15(9-11)21-14-10-16(19(23)26-3)22-18-12(14)5-4-6-13(18)20/h4-10H,1-3H3,(H,21,22).
What are the key properties of methyl 8-chloro-4-(2,5-dimethoxyanilino)quinoline-2-carboxylate?
methyl 8-chloro-4-(2,5-dimethoxyanilino)quinoline-2-carboxylate has a molecular weight of 372.81 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-chloro-4-(2,5-dimethoxyanilino)quinoline-2-carboxylate is sourced from PubChem (CID 53113369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).