methyl 4-(3-chloroanilino)-8-methoxyquinoline-2-carboxylate

C18H15ClN2O3 — CID 53113309

IUPACmethyl 4-(3-chloroanilino)-8-methoxyquinoline-2-carboxylate
SMILESCOC(=O)c1cc(Nc2cccc(Cl)c2)c2cccc(OC)c2n1
InChIInChI=1S/C18H15ClN2O3/c1-23-16-8-4-7-13-14(20-12-6-3-5-11(19)9-12)10-15(18(22)24-2)21-17(13)16/h3-10H,1-2H3,(H,20,21)
InChIKeyNZJHKWLZDDUCQA-UHFFFAOYSA-N
MW342.78 g/mol
LogP4.43
Rot. Bonds4

About methyl 4-(3-chloroanilino)-8-methoxyquinoline-2-carboxylate

methyl 4-(3-chloroanilino)-8-methoxyquinoline-2-carboxylate (PubChem CID 53113309) has the molecular formula C18H15ClN2O3 and a molecular weight of 342.78 g/mol. Its IUPAC name is methyl 4-(3-chloroanilino)-8-methoxyquinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(3-chloroanilino)-8-methoxyquinoline-2-carboxylate
PubChem CID53113309
Molecular FormulaC18H15ClN2O3
Molecular Weight342.78 g/mol
Exact Mass342.08
IUPAC Namemethyl 4-(3-chloroanilino)-8-methoxyquinoline-2-carboxylate
SMILESCOC(=O)c1cc(Nc2cccc(Cl)c2)c2cccc(OC)c2n1
InChIInChI=1S/C18H15ClN2O3/c1-23-16-8-4-7-13-14(20-12-6-3-5-11(19)9-12)10-15(18(22)24-2)21-17(13)16/h3-10H,1-2H3,(H,20,21)
InChIKeyNZJHKWLZDDUCQA-UHFFFAOYSA-N
XLogP4.43
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.78
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(3-chloroanilino)-8-methoxyquinolin-2-yl]-piperidin-1-ylmethanone
CID 53020993
N-(3-chlorophenyl)-8-methoxy-2-methylquinolin-4-amine
CID 23880571
methyl 8-chloro-4-(2,5-dimethoxyanilino)quinoline-2-carboxylate
CID 53113369
methyl 8-chloro-4-methoxyquinoline-2-carboxylate
CID 53419812
methyl 8-fluoro-4-(3-fluoro-4-methylanilino)quinoline-2-carboxylate
CID 45499564
8-methoxy-4-(methylamino)quinoline-2-carboxylic acid
CID 84626797
ethyl 6-chloro-4-(3-chloroanilino)quinoline-2-carboxylate
CID 46507263
methyl 4-(2,5-dimethoxyanilino)-8-methylquinoline-2-carboxylate
CID 53113332
8-methoxy-2-methyl-N-(3-methylphenyl)quinolin-4-amine
CID 110435559
N-(3-chloro-4-methoxyphenyl)-8-methoxy-2-methylquinolin-4-amine
CID 798258
methyl 4-(2-methoxyanilino)quinoline-2-carboxylate
CID 53113238
methyl 4-(3-methoxyanilino)-6-methylquinoline-2-carboxylate
CID 53113257

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-chloroanilino)-8-methoxyquinoline-2-carboxylate?
The IUPAC name of methyl 4-(3-chloroanilino)-8-methoxyquinoline-2-carboxylate (CID 53113309) is methyl 4-(3-chloroanilino)-8-methoxyquinoline-2-carboxylate.
What is the SMILES notation for methyl 4-(3-chloroanilino)-8-methoxyquinoline-2-carboxylate?
The canonical SMILES for methyl 4-(3-chloroanilino)-8-methoxyquinoline-2-carboxylate is COC(=O)c1cc(Nc2cccc(Cl)c2)c2cccc(OC)c2n1.
What is the InChIKey of methyl 4-(3-chloroanilino)-8-methoxyquinoline-2-carboxylate?
The InChIKey is NZJHKWLZDDUCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O3/c1-23-16-8-4-7-13-14(20-12-6-3-5-11(19)9-12)10-15(18(22)24-2)21-17(13)16/h3-10H,1-2H3,(H,20,21).
What are the key properties of methyl 4-(3-chloroanilino)-8-methoxyquinoline-2-carboxylate?
methyl 4-(3-chloroanilino)-8-methoxyquinoline-2-carboxylate has a molecular weight of 342.78 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-chloroanilino)-8-methoxyquinoline-2-carboxylate is sourced from PubChem (CID 53113309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).