ethyl 7,8-dichloro-4-(2,5-dimethoxyanilino)quinoline-3-carboxylate

C20H18Cl2N2O4 — CID 23995336

IUPACethyl 7,8-dichloro-4-(2,5-dimethoxyanilino)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(Cl)c(Cl)ccc2c1Nc1cc(OC)ccc1OC
InChIInChI=1S/C20H18Cl2N2O4/c1-4-28-20(25)13-10-23-19-12(6-7-14(21)17(19)22)18(13)24-15-9-11(26-2)5-8-16(15)27-3/h5-10H,4H2,1-3H3,(H,23,24)
InChIKeyJUERTMBTIVNPBM-UHFFFAOYSA-N
MW421.28 g/mol
LogP5.48
Rot. Bonds6

About ethyl 7,8-dichloro-4-(2,5-dimethoxyanilino)quinoline-3-carboxylate

ethyl 7,8-dichloro-4-(2,5-dimethoxyanilino)quinoline-3-carboxylate (PubChem CID 23995336) has the molecular formula C20H18Cl2N2O4 and a molecular weight of 421.28 g/mol. Its IUPAC name is ethyl 7,8-dichloro-4-(2,5-dimethoxyanilino)quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 7,8-dichloro-4-(2,5-dimethoxyanilino)quinoline-3-carboxylate
PubChem CID23995336
Molecular FormulaC20H18Cl2N2O4
Molecular Weight421.28 g/mol
Exact Mass420.06
IUPAC Nameethyl 7,8-dichloro-4-(2,5-dimethoxyanilino)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(Cl)c(Cl)ccc2c1Nc1cc(OC)ccc1OC
InChIInChI=1S/C20H18Cl2N2O4/c1-4-28-20(25)13-10-23-19-12(6-7-14(21)17(19)22)18(13)24-15-9-11(26-2)5-8-16(15)27-3/h5-10H,4H2,1-3H3,(H,23,24)
InChIKeyJUERTMBTIVNPBM-UHFFFAOYSA-N
XLogP5.48
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.28
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-(2,5-dimethoxyanilino)-8-methoxyquinoline-3-carboxylate
CID 22333868
ethyl 7,8-dichloro-4-(2-ethoxyanilino)quinoline-3-carboxylate
CID 23993661
ethyl 6,8-dichloro-4-(5-chloro-2-methoxyanilino)quinoline-3-carboxylate
CID 23853494
ethyl 7-chloro-4-(4-methoxyanilino)-8-methylquinoline-3-carboxylate
CID 1183946
ethyl 7-chloro-6-methoxy-4-(2-methoxy-5-methylanilino)quinoline-3-carboxylate
CID 22333896
ethyl 4-(2,4-dimethoxyanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 19258401
ethyl 4-(5-chloro-2-methoxyanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 19258344
ethyl 8-ethyl-4-(2-methoxy-5-methylanilino)quinoline-3-carboxylate
CID 23821530
ethyl 8-methoxy-4-(2-methoxyanilino)quinoline-3-carboxylate;hydrochloride
CID 13038443
ethyl 6-ethoxy-4-(2-methoxy-5-methylanilino)quinoline-3-carboxylate
CID 22333887
ethyl 8-methoxy-4-(naphthalen-1-ylamino)quinoline-3-carboxylate
CID 1190582
ethyl 8-methoxy-4-(2-methylanilino)quinoline-3-carboxylate
CID 13038439

Frequently Asked Questions

What is the IUPAC name of ethyl 7,8-dichloro-4-(2,5-dimethoxyanilino)quinoline-3-carboxylate?
The IUPAC name of ethyl 7,8-dichloro-4-(2,5-dimethoxyanilino)quinoline-3-carboxylate (CID 23995336) is ethyl 7,8-dichloro-4-(2,5-dimethoxyanilino)quinoline-3-carboxylate.
What is the SMILES notation for ethyl 7,8-dichloro-4-(2,5-dimethoxyanilino)quinoline-3-carboxylate?
The canonical SMILES for ethyl 7,8-dichloro-4-(2,5-dimethoxyanilino)quinoline-3-carboxylate is CCOC(=O)c1cnc2c(Cl)c(Cl)ccc2c1Nc1cc(OC)ccc1OC.
What is the InChIKey of ethyl 7,8-dichloro-4-(2,5-dimethoxyanilino)quinoline-3-carboxylate?
The InChIKey is JUERTMBTIVNPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N2O4/c1-4-28-20(25)13-10-23-19-12(6-7-14(21)17(19)22)18(13)24-15-9-11(26-2)5-8-16(15)27-3/h5-10H,4H2,1-3H3,(H,23,24).
What are the key properties of ethyl 7,8-dichloro-4-(2,5-dimethoxyanilino)quinoline-3-carboxylate?
ethyl 7,8-dichloro-4-(2,5-dimethoxyanilino)quinoline-3-carboxylate has a molecular weight of 421.28 g/mol, XLogP of 5.48, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7,8-dichloro-4-(2,5-dimethoxyanilino)quinoline-3-carboxylate is sourced from PubChem (CID 23995336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).