methyl 4-(2-chloroanilino)-6-ethoxyquinoline-2-carboxylate

C19H17ClN2O3 — CID 53002401

IUPACmethyl 4-(2-chloroanilino)-6-ethoxyquinoline-2-carboxylate
SMILESCCOc1ccc2nc(C(=O)OC)cc(Nc3ccccc3Cl)c2c1
InChIInChI=1S/C19H17ClN2O3/c1-3-25-12-8-9-15-13(10-12)17(11-18(21-15)19(23)24-2)22-16-7-5-4-6-14(16)20/h4-11H,3H2,1-2H3,(H,21,22)
InChIKeyCZWCZAJKQLYARI-UHFFFAOYSA-N
MW356.81 g/mol
LogP4.82
Rot. Bonds5

About methyl 4-(2-chloroanilino)-6-ethoxyquinoline-2-carboxylate

methyl 4-(2-chloroanilino)-6-ethoxyquinoline-2-carboxylate (PubChem CID 53002401) has the molecular formula C19H17ClN2O3 and a molecular weight of 356.81 g/mol. Its IUPAC name is methyl 4-(2-chloroanilino)-6-ethoxyquinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-chloroanilino)-6-ethoxyquinoline-2-carboxylate
PubChem CID53002401
Molecular FormulaC19H17ClN2O3
Molecular Weight356.81 g/mol
Exact Mass356.09
IUPAC Namemethyl 4-(2-chloroanilino)-6-ethoxyquinoline-2-carboxylate
SMILESCCOc1ccc2nc(C(=O)OC)cc(Nc3ccccc3Cl)c2c1
InChIInChI=1S/C19H17ClN2O3/c1-3-25-12-8-9-15-13(10-12)17(11-18(21-15)19(23)24-2)22-16-7-5-4-6-14(16)20/h4-11H,3H2,1-2H3,(H,21,22)
InChIKeyCZWCZAJKQLYARI-UHFFFAOYSA-N
XLogP4.82
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(6-ethoxy-2-methylquinolin-4-yl)amino]benzoate
CID 169487758
methyl 4-(2-ethoxyanilino)quinoline-2-carboxylate
CID 45499064
methyl 4-(3-chloro-2-methylanilino)-6-methylquinoline-2-carboxylate
CID 53113265
N-(2,3-dichlorophenyl)-6-ethoxy-2-methylquinolin-4-amine
CID 169487789
methyl 6-methyl-4-(4-phenylmethoxyanilino)quinoline-2-carboxylate
CID 53001303
4-(2-chloroanilino)quinoline-2-carboxylic acid
CID 63538967
methyl 6-fluoro-4-(2-methoxyanilino)quinoline-2-carboxylate
CID 53113277
methyl 2-[(6-ethoxy-2-methylquinolin-4-yl)amino]-4,5-dimethoxybenzoate
CID 25022707
methyl 4-(2-methoxyanilino)quinoline-2-carboxylate
CID 53113238
dimethyl 6-phenylmethoxyquinoline-2,4-dicarboxylate
CID 10991740
6-ethoxy-N-(2-fluorophenyl)-2-methylquinolin-4-amine;hydrochloride
CID 56728858
6-ethoxy-N-(4-methoxyphenyl)-2-methylquinolin-4-amine
CID 696588

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-chloroanilino)-6-ethoxyquinoline-2-carboxylate?
The IUPAC name of methyl 4-(2-chloroanilino)-6-ethoxyquinoline-2-carboxylate (CID 53002401) is methyl 4-(2-chloroanilino)-6-ethoxyquinoline-2-carboxylate.
What is the SMILES notation for methyl 4-(2-chloroanilino)-6-ethoxyquinoline-2-carboxylate?
The canonical SMILES for methyl 4-(2-chloroanilino)-6-ethoxyquinoline-2-carboxylate is CCOc1ccc2nc(C(=O)OC)cc(Nc3ccccc3Cl)c2c1.
What is the InChIKey of methyl 4-(2-chloroanilino)-6-ethoxyquinoline-2-carboxylate?
The InChIKey is CZWCZAJKQLYARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O3/c1-3-25-12-8-9-15-13(10-12)17(11-18(21-15)19(23)24-2)22-16-7-5-4-6-14(16)20/h4-11H,3H2,1-2H3,(H,21,22).
What are the key properties of methyl 4-(2-chloroanilino)-6-ethoxyquinoline-2-carboxylate?
methyl 4-(2-chloroanilino)-6-ethoxyquinoline-2-carboxylate has a molecular weight of 356.81 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-chloroanilino)-6-ethoxyquinoline-2-carboxylate is sourced from PubChem (CID 53002401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).