ethyl 7,8-dichloro-4-(2-ethoxyanilino)quinoline-3-carboxylate

C20H18Cl2N2O3 — CID 23993661

IUPACethyl 7,8-dichloro-4-(2-ethoxyanilino)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(Cl)c(Cl)ccc2c1Nc1ccccc1OCC
InChIInChI=1S/C20H18Cl2N2O3/c1-3-26-16-8-6-5-7-15(16)24-18-12-9-10-14(21)17(22)19(12)23-11-13(18)20(25)27-4-2/h5-11H,3-4H2,1-2H3,(H,23,24)
InChIKeyQJOBUJHIXMNROH-UHFFFAOYSA-N
MW405.28 g/mol
LogP5.86
Rot. Bonds6

About ethyl 7,8-dichloro-4-(2-ethoxyanilino)quinoline-3-carboxylate

ethyl 7,8-dichloro-4-(2-ethoxyanilino)quinoline-3-carboxylate (PubChem CID 23993661) has the molecular formula C20H18Cl2N2O3 and a molecular weight of 405.28 g/mol. Its IUPAC name is ethyl 7,8-dichloro-4-(2-ethoxyanilino)quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 7,8-dichloro-4-(2-ethoxyanilino)quinoline-3-carboxylate
PubChem CID23993661
Molecular FormulaC20H18Cl2N2O3
Molecular Weight405.28 g/mol
Exact Mass404.07
IUPAC Nameethyl 7,8-dichloro-4-(2-ethoxyanilino)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(Cl)c(Cl)ccc2c1Nc1ccccc1OCC
InChIInChI=1S/C20H18Cl2N2O3/c1-3-26-16-8-6-5-7-15(16)24-18-12-9-10-14(21)17(22)19(12)23-11-13(18)20(25)27-4-2/h5-11H,3-4H2,1-2H3,(H,23,24)
InChIKeyQJOBUJHIXMNROH-UHFFFAOYSA-N
XLogP5.86
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.28
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 7,8-dichloro-4-(2,5-dimethoxyanilino)quinoline-3-carboxylate
CID 23995336
ethyl 8-methoxy-4-(2-methoxyanilino)quinoline-3-carboxylate;hydrochloride
CID 13038443
ethyl 8-methoxy-4-(naphthalen-1-ylamino)quinoline-3-carboxylate
CID 1190582
ethyl 8-methoxy-4-(2-methylanilino)quinoline-3-carboxylate
CID 13038439
7-chloro-8-methyl-4-(2-propoxyanilino)quinoline-3-carboxylate
CID 7137814
ethyl 4-anilino-8-chloroquinoline-3-carboxylate
CID 728783
ethyl 7-chloro-4-(4-ethoxyanilino)-8-methylquinoline-3-carboxylate
CID 1183948
ethyl 4-(2-ethylanilino)-8-methoxyquinoline-3-carboxylate phosphate
CID 20529012
ethyl 4-(2-methylanilino)-8-methylsulfanylquinoline-3-carboxylate
CID 13038499
ethyl 8-chloro-4-(4-ethoxyanilino)quinoline-3-carboxylate
CID 1181319
ethyl 4-(2,5-dimethoxyanilino)-8-methoxyquinoline-3-carboxylate
CID 22333868
ethyl 7,8-dichloro-4-(2-morpholin-4-ylethylamino)quinoline-3-carboxylate
CID 1187153

Frequently Asked Questions

What is the IUPAC name of ethyl 7,8-dichloro-4-(2-ethoxyanilino)quinoline-3-carboxylate?
The IUPAC name of ethyl 7,8-dichloro-4-(2-ethoxyanilino)quinoline-3-carboxylate (CID 23993661) is ethyl 7,8-dichloro-4-(2-ethoxyanilino)quinoline-3-carboxylate.
What is the SMILES notation for ethyl 7,8-dichloro-4-(2-ethoxyanilino)quinoline-3-carboxylate?
The canonical SMILES for ethyl 7,8-dichloro-4-(2-ethoxyanilino)quinoline-3-carboxylate is CCOC(=O)c1cnc2c(Cl)c(Cl)ccc2c1Nc1ccccc1OCC.
What is the InChIKey of ethyl 7,8-dichloro-4-(2-ethoxyanilino)quinoline-3-carboxylate?
The InChIKey is QJOBUJHIXMNROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N2O3/c1-3-26-16-8-6-5-7-15(16)24-18-12-9-10-14(21)17(22)19(12)23-11-13(18)20(25)27-4-2/h5-11H,3-4H2,1-2H3,(H,23,24).
What are the key properties of ethyl 7,8-dichloro-4-(2-ethoxyanilino)quinoline-3-carboxylate?
ethyl 7,8-dichloro-4-(2-ethoxyanilino)quinoline-3-carboxylate has a molecular weight of 405.28 g/mol, XLogP of 5.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7,8-dichloro-4-(2-ethoxyanilino)quinoline-3-carboxylate is sourced from PubChem (CID 23993661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).