ethyl 4-anilino-8-chloroquinoline-3-carboxylate

C18H15ClN2O2 — CID 728783

IUPACethyl 4-anilino-8-chloroquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(Cl)cccc2c1Nc1ccccc1
InChIInChI=1S/C18H15ClN2O2/c1-2-23-18(22)14-11-20-17-13(9-6-10-15(17)19)16(14)21-12-7-4-3-5-8-12/h3-11H,2H2,1H3,(H,20,21)
InChIKeyDHLDXXJPACVVPZ-UHFFFAOYSA-N
MW326.78 g/mol
LogP4.81
Rot. Bonds4

About ethyl 4-anilino-8-chloroquinoline-3-carboxylate

ethyl 4-anilino-8-chloroquinoline-3-carboxylate (PubChem CID 728783) has the molecular formula C18H15ClN2O2 and a molecular weight of 326.78 g/mol. Its IUPAC name is ethyl 4-anilino-8-chloroquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-anilino-8-chloroquinoline-3-carboxylate
PubChem CID728783
Molecular FormulaC18H15ClN2O2
Molecular Weight326.78 g/mol
Exact Mass326.08
IUPAC Nameethyl 4-anilino-8-chloroquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(Cl)cccc2c1Nc1ccccc1
InChIInChI=1S/C18H15ClN2O2/c1-2-23-18(22)14-11-20-17-13(9-6-10-15(17)19)16(14)21-12-7-4-3-5-8-12/h3-11H,2H2,1H3,(H,20,21)
InChIKeyDHLDXXJPACVVPZ-UHFFFAOYSA-N
XLogP4.81
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 8-chloro-4-(4-methylanilino)quinoline-3-carboxylate
CID 709130
ethyl 8-chloro-4-(4-ethoxyanilino)quinoline-3-carboxylate
CID 1181319
ethyl 4-anilino-8-(dimethylamino)quinoline-3-carboxylate;hydrochloride
CID 13038524
ethyl 8-chloro-4-(2-ethyl-6-methylanilino)quinoline-3-carboxylate
CID 23733695
ethyl 8-chloro-4-(2-phenylethylamino)quinoline-3-carboxylate
CID 1181324
ethyl 4,8-dichloroquinoline-3-carboxylate
CID 728974
ethyl 4-(3-hydroxyanilino)-8-methylquinoline-3-carboxylate
CID 700745
ethyl 4-(4-hydroxyanilino)-8-methylquinoline-3-carboxylate;hydrochloride
CID 2790966
4-(4-acetylanilino)-3-ethoxycarbonylquinoline-8-carboxylic acid
CID 1179442
ethyl 4-bromo-8-chloroquinoline-3-carboxylate
CID 17040074
3-O-ethyl 8-O-methyl 4-(4-hydroxyanilino)quinoline-3,8-dicarboxylate
CID 1191451
ethyl 4-(3-ethoxycarbonylanilino)-8-ethylquinoline-3-carboxylate
CID 23734415

Frequently Asked Questions

What is the IUPAC name of ethyl 4-anilino-8-chloroquinoline-3-carboxylate?
The IUPAC name of ethyl 4-anilino-8-chloroquinoline-3-carboxylate (CID 728783) is ethyl 4-anilino-8-chloroquinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-anilino-8-chloroquinoline-3-carboxylate?
The canonical SMILES for ethyl 4-anilino-8-chloroquinoline-3-carboxylate is CCOC(=O)c1cnc2c(Cl)cccc2c1Nc1ccccc1.
What is the InChIKey of ethyl 4-anilino-8-chloroquinoline-3-carboxylate?
The InChIKey is DHLDXXJPACVVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2/c1-2-23-18(22)14-11-20-17-13(9-6-10-15(17)19)16(14)21-12-7-4-3-5-8-12/h3-11H,2H2,1H3,(H,20,21).
What are the key properties of ethyl 4-anilino-8-chloroquinoline-3-carboxylate?
ethyl 4-anilino-8-chloroquinoline-3-carboxylate has a molecular weight of 326.78 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-anilino-8-chloroquinoline-3-carboxylate is sourced from PubChem (CID 728783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).