ethyl 7-chloro-4-(3-chloroanilino)quinoline-3-carboxylate

C18H14Cl2N2O2 — CID 102267989

IUPACethyl 7-chloro-4-(3-chloroanilino)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2cc(Cl)ccc2c1Nc1cccc(Cl)c1
InChIInChI=1S/C18H14Cl2N2O2/c1-2-24-18(23)15-10-21-16-9-12(20)6-7-14(16)17(15)22-13-5-3-4-11(19)8-13/h3-10H,2H2,1H3,(H,21,22)
InChIKeyOEWFBYOSMRPVTF-UHFFFAOYSA-N
MW361.23 g/mol
LogP5.46
Rot. Bonds4

About ethyl 7-chloro-4-(3-chloroanilino)quinoline-3-carboxylate

ethyl 7-chloro-4-(3-chloroanilino)quinoline-3-carboxylate (PubChem CID 102267989) has the molecular formula C18H14Cl2N2O2 and a molecular weight of 361.23 g/mol. Its IUPAC name is ethyl 7-chloro-4-(3-chloroanilino)quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-chloro-4-(3-chloroanilino)quinoline-3-carboxylate
PubChem CID102267989
Molecular FormulaC18H14Cl2N2O2
Molecular Weight361.23 g/mol
Exact Mass360.04
IUPAC Nameethyl 7-chloro-4-(3-chloroanilino)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2cc(Cl)ccc2c1Nc1cccc(Cl)c1
InChIInChI=1S/C18H14Cl2N2O2/c1-2-24-18(23)15-10-21-16-9-12(20)6-7-14(16)17(15)22-13-5-3-4-11(19)8-13/h3-10H,2H2,1H3,(H,21,22)
InChIKeyOEWFBYOSMRPVTF-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-bromo-4-(3-chloroanilino)quinoline-3-carboxylate
CID 23848765
ethyl 4-(4-aminoanilino)-6-chloroquinoline-3-carboxylate
CID 66715427
diethyl 4-(3,5-dichloroanilino)quinoline-3,6-dicarboxylate
CID 23878770
ethyl 4-amino-7-chloroquinoline-3-carboxylate
CID 609428
ethyl 4-(3-methoxyanilino)quinoline-3-carboxylate
CID 709089
ethyl 6-chloro-4-(2-phenylhydrazinyl)quinoline-3-carboxylate
CID 17016638
ethyl 4-[3-(methanesulfonamido)anilino]quinoline-3-carboxylate
CID 155927197
ethyl 6-chloro-8-methyl-4-(3-methylanilino)quinoline-3-carboxylate
CID 1186854
ethyl 4-(2,4-dichloroanilino)-7-(trifluoromethyl)quinoline-3-carboxylate
CID 23477194
ethyl 4-(2,5-dichloroanilino)-7-(trifluoromethyl)quinoline-3-carboxylate
CID 23477181
ethyl 4-anilino-8-chloroquinoline-3-carboxylate
CID 728783
diethyl 4-(4-anilinoanilino)quinoline-3,6-dicarboxylate
CID 23936289

Frequently Asked Questions

What is the IUPAC name of ethyl 7-chloro-4-(3-chloroanilino)quinoline-3-carboxylate?
The IUPAC name of ethyl 7-chloro-4-(3-chloroanilino)quinoline-3-carboxylate (CID 102267989) is ethyl 7-chloro-4-(3-chloroanilino)quinoline-3-carboxylate.
What is the SMILES notation for ethyl 7-chloro-4-(3-chloroanilino)quinoline-3-carboxylate?
The canonical SMILES for ethyl 7-chloro-4-(3-chloroanilino)quinoline-3-carboxylate is CCOC(=O)c1cnc2cc(Cl)ccc2c1Nc1cccc(Cl)c1.
What is the InChIKey of ethyl 7-chloro-4-(3-chloroanilino)quinoline-3-carboxylate?
The InChIKey is OEWFBYOSMRPVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N2O2/c1-2-24-18(23)15-10-21-16-9-12(20)6-7-14(16)17(15)22-13-5-3-4-11(19)8-13/h3-10H,2H2,1H3,(H,21,22).
What are the key properties of ethyl 7-chloro-4-(3-chloroanilino)quinoline-3-carboxylate?
ethyl 7-chloro-4-(3-chloroanilino)quinoline-3-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 7-chloro-4-(3-chloroanilino)quinoline-3-carboxylate is sourced from PubChem (CID 102267989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).