ethyl 8-chloro-4-(4-ethoxyanilino)quinoline-3-carboxylate

C20H19ClN2O3 — CID 1181319

IUPACethyl 8-chloro-4-(4-ethoxyanilino)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(Cl)cccc2c1Nc1ccc(OCC)cc1
InChIInChI=1S/C20H19ClN2O3/c1-3-25-14-10-8-13(9-11-14)23-18-15-6-5-7-17(21)19(15)22-12-16(18)20(24)26-4-2/h5-12H,3-4H2,1-2H3,(H,22,23)
InChIKeyZVOYEJYIWHKKPO-UHFFFAOYSA-N
MW370.84 g/mol
LogP5.21
Rot. Bonds6

About ethyl 8-chloro-4-(4-ethoxyanilino)quinoline-3-carboxylate

ethyl 8-chloro-4-(4-ethoxyanilino)quinoline-3-carboxylate (PubChem CID 1181319) has the molecular formula C20H19ClN2O3 and a molecular weight of 370.84 g/mol. Its IUPAC name is ethyl 8-chloro-4-(4-ethoxyanilino)quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 8-chloro-4-(4-ethoxyanilino)quinoline-3-carboxylate
PubChem CID1181319
Molecular FormulaC20H19ClN2O3
Molecular Weight370.84 g/mol
Exact Mass370.11
IUPAC Nameethyl 8-chloro-4-(4-ethoxyanilino)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(Cl)cccc2c1Nc1ccc(OCC)cc1
InChIInChI=1S/C20H19ClN2O3/c1-3-25-14-10-8-13(9-11-14)23-18-15-6-5-7-17(21)19(15)22-12-16(18)20(24)26-4-2/h5-12H,3-4H2,1-2H3,(H,22,23)
InChIKeyZVOYEJYIWHKKPO-UHFFFAOYSA-N
XLogP5.21
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.84
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 8-chloro-4-(4-methylanilino)quinoline-3-carboxylate
CID 709130
ethyl 4-anilino-8-chloroquinoline-3-carboxylate
CID 728783
ethyl 7-chloro-4-(4-ethoxyanilino)-8-methylquinoline-3-carboxylate
CID 1183948
ethyl 8-chloro-4-(2-ethyl-6-methylanilino)quinoline-3-carboxylate
CID 23733695
ethyl 7-chloro-4-(4-methoxyanilino)-8-methylquinoline-3-carboxylate
CID 1183946
ethyl 4-(4-hydroxyanilino)-8-methylquinoline-3-carboxylate;hydrochloride
CID 2790966
ethyl 4,8-dichloroquinoline-3-carboxylate
CID 728974
3-O-ethyl 8-O-methyl 4-(4-hydroxyanilino)quinoline-3,8-dicarboxylate
CID 1191451
ethyl 8-methoxy-4-(4-phenylmethoxyanilino)quinoline-3-carboxylate
CID 23769624
4-(4-acetylanilino)-3-ethoxycarbonylquinoline-8-carboxylic acid
CID 1179442
ethyl 8-cyano-4-(4-ethoxycarbonylanilino)quinoline-3-carboxylate
CID 17016669
ethyl 4-bromo-8-chloroquinoline-3-carboxylate
CID 17040074

Frequently Asked Questions

What is the IUPAC name of ethyl 8-chloro-4-(4-ethoxyanilino)quinoline-3-carboxylate?
The IUPAC name of ethyl 8-chloro-4-(4-ethoxyanilino)quinoline-3-carboxylate (CID 1181319) is ethyl 8-chloro-4-(4-ethoxyanilino)quinoline-3-carboxylate.
What is the SMILES notation for ethyl 8-chloro-4-(4-ethoxyanilino)quinoline-3-carboxylate?
The canonical SMILES for ethyl 8-chloro-4-(4-ethoxyanilino)quinoline-3-carboxylate is CCOC(=O)c1cnc2c(Cl)cccc2c1Nc1ccc(OCC)cc1.
What is the InChIKey of ethyl 8-chloro-4-(4-ethoxyanilino)quinoline-3-carboxylate?
The InChIKey is ZVOYEJYIWHKKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O3/c1-3-25-14-10-8-13(9-11-14)23-18-15-6-5-7-17(21)19(15)22-12-16(18)20(24)26-4-2/h5-12H,3-4H2,1-2H3,(H,22,23).
What are the key properties of ethyl 8-chloro-4-(4-ethoxyanilino)quinoline-3-carboxylate?
ethyl 8-chloro-4-(4-ethoxyanilino)quinoline-3-carboxylate has a molecular weight of 370.84 g/mol, XLogP of 5.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-chloro-4-(4-ethoxyanilino)quinoline-3-carboxylate is sourced from PubChem (CID 1181319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).