ethyl 6-chloro-4-(3-chloroanilino)quinoline-2-carboxylate

C18H14Cl2N2O2 — CID 46507263

IUPACethyl 6-chloro-4-(3-chloroanilino)quinoline-2-carboxylate
SMILESCCOC(=O)c1cc(Nc2cccc(Cl)c2)c2cc(Cl)ccc2n1
InChIInChI=1S/C18H14Cl2N2O2/c1-2-24-18(23)17-10-16(21-13-5-3-4-11(19)8-13)14-9-12(20)6-7-15(14)22-17/h3-10H,2H2,1H3,(H,21,22)
InChIKeyWYECXLYQZVFOOY-UHFFFAOYSA-N
MW361.23 g/mol
LogP5.46
Rot. Bonds4

About ethyl 6-chloro-4-(3-chloroanilino)quinoline-2-carboxylate

ethyl 6-chloro-4-(3-chloroanilino)quinoline-2-carboxylate (PubChem CID 46507263) has the molecular formula C18H14Cl2N2O2 and a molecular weight of 361.23 g/mol. Its IUPAC name is ethyl 6-chloro-4-(3-chloroanilino)quinoline-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-chloro-4-(3-chloroanilino)quinoline-2-carboxylate
PubChem CID46507263
Molecular FormulaC18H14Cl2N2O2
Molecular Weight361.23 g/mol
Exact Mass360.04
IUPAC Nameethyl 6-chloro-4-(3-chloroanilino)quinoline-2-carboxylate
SMILESCCOC(=O)c1cc(Nc2cccc(Cl)c2)c2cc(Cl)ccc2n1
InChIInChI=1S/C18H14Cl2N2O2/c1-2-24-18(23)17-10-16(21-13-5-3-4-11(19)8-13)14-9-12(20)6-7-15(14)22-17/h3-10H,2H2,1H3,(H,21,22)
InChIKeyWYECXLYQZVFOOY-UHFFFAOYSA-N
XLogP5.46
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.23
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 6-chloro-4-(3,4-difluoroanilino)quinoline-2-carboxylate
CID 22425307
ethyl 6-chloro-4-phenylquinoline-2-carboxylate
CID 53355070
ethyl 3-(3-chloroanilino)benzoate
CID 82535753
ethyl 2-(3-chloroanilino)benzoate
CID 70679381
ethyl 4-(4-chloroanilino)-2-methylquinoline-6-carboxylate;hydrochloride
CID 2919127
ethyl 3-amino-4-(3-chloroanilino)benzoate
CID 61307975
ethyl 3-(3-chloroanilino)-1H-pyrrole-2-carboxylate
CID 67068489
ethyl 3-(3-chloroanilino)-6,7-dimethylquinoxaline-2-carboxylate
CID 50764977
ethyl 7-chloro-4-(3-chloroanilino)quinoline-3-carboxylate
CID 102267989
ethyl N-[4-chloro-2-(3-chloroanilino)phenyl]carbamate
CID 12930188
methyl 4-(3-chloroanilino)-8-methoxyquinoline-2-carboxylate
CID 53113309
methyl 4-(3-methoxyanilino)-6-methylquinoline-2-carboxylate
CID 53113257

Frequently Asked Questions

What is the IUPAC name of ethyl 6-chloro-4-(3-chloroanilino)quinoline-2-carboxylate?
The IUPAC name of ethyl 6-chloro-4-(3-chloroanilino)quinoline-2-carboxylate (CID 46507263) is ethyl 6-chloro-4-(3-chloroanilino)quinoline-2-carboxylate.
What is the SMILES notation for ethyl 6-chloro-4-(3-chloroanilino)quinoline-2-carboxylate?
The canonical SMILES for ethyl 6-chloro-4-(3-chloroanilino)quinoline-2-carboxylate is CCOC(=O)c1cc(Nc2cccc(Cl)c2)c2cc(Cl)ccc2n1.
What is the InChIKey of ethyl 6-chloro-4-(3-chloroanilino)quinoline-2-carboxylate?
The InChIKey is WYECXLYQZVFOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N2O2/c1-2-24-18(23)17-10-16(21-13-5-3-4-11(19)8-13)14-9-12(20)6-7-15(14)22-17/h3-10H,2H2,1H3,(H,21,22).
What are the key properties of ethyl 6-chloro-4-(3-chloroanilino)quinoline-2-carboxylate?
ethyl 6-chloro-4-(3-chloroanilino)quinoline-2-carboxylate has a molecular weight of 361.23 g/mol, XLogP of 5.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-chloro-4-(3-chloroanilino)quinoline-2-carboxylate is sourced from PubChem (CID 46507263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).