ethyl 6,8-dichloro-4-(5-chloro-2-methoxyanilino)quinoline-3-carboxylate

C19H15Cl3N2O3 — CID 23853494

IUPACethyl 6,8-dichloro-4-(5-chloro-2-methoxyanilino)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(Cl)cc(Cl)cc2c1Nc1cc(Cl)ccc1OC
InChIInChI=1S/C19H15Cl3N2O3/c1-3-27-19(25)13-9-23-18-12(6-11(21)7-14(18)22)17(13)24-15-8-10(20)4-5-16(15)26-2/h4-9H,3H2,1-2H3,(H,23,24)
InChIKeyRWYIOZRDFAVYSR-UHFFFAOYSA-N
MW425.70 g/mol
LogP6.12
Rot. Bonds5

About ethyl 6,8-dichloro-4-(5-chloro-2-methoxyanilino)quinoline-3-carboxylate

ethyl 6,8-dichloro-4-(5-chloro-2-methoxyanilino)quinoline-3-carboxylate (PubChem CID 23853494) has the molecular formula C19H15Cl3N2O3 and a molecular weight of 425.70 g/mol. Its IUPAC name is ethyl 6,8-dichloro-4-(5-chloro-2-methoxyanilino)quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 6,8-dichloro-4-(5-chloro-2-methoxyanilino)quinoline-3-carboxylate
PubChem CID23853494
Molecular FormulaC19H15Cl3N2O3
Molecular Weight425.70 g/mol
Exact Mass424.01
IUPAC Nameethyl 6,8-dichloro-4-(5-chloro-2-methoxyanilino)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(Cl)cc(Cl)cc2c1Nc1cc(Cl)ccc1OC
InChIInChI=1S/C19H15Cl3N2O3/c1-3-27-19(25)13-9-23-18-12(6-11(21)7-14(18)22)17(13)24-15-8-10(20)4-5-16(15)26-2/h4-9H,3H2,1-2H3,(H,23,24)
InChIKeyRWYIOZRDFAVYSR-UHFFFAOYSA-N
XLogP6.12
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.70
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-(5-chloro-2-methoxyanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 19258344
ethyl 7,8-dichloro-4-(2,5-dimethoxyanilino)quinoline-3-carboxylate
CID 23995336
ethyl 4-(2,5-dimethoxyanilino)-8-methoxyquinoline-3-carboxylate
CID 22333868
ethyl 8-ethyl-4-(2-methoxy-5-methylanilino)quinoline-3-carboxylate
CID 23821530
ethyl 7-chloro-6-methoxy-4-(2-methoxy-5-methylanilino)quinoline-3-carboxylate
CID 22333896
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
ethyl 8-chloro-5-methoxy-4-(methylamino)quinoline-3-carboxylate
CID 62191865
ethyl 4-(5-chloro-2-methylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 19258435
ethyl 6,8-dichloro-4-(furan-2-ylmethylamino)quinoline-3-carboxylate
CID 1189481
ethyl 6-ethoxy-4-(2-methoxy-5-methylanilino)quinoline-3-carboxylate
CID 22333887

Frequently Asked Questions

What is the IUPAC name of ethyl 6,8-dichloro-4-(5-chloro-2-methoxyanilino)quinoline-3-carboxylate?
The IUPAC name of ethyl 6,8-dichloro-4-(5-chloro-2-methoxyanilino)quinoline-3-carboxylate (CID 23853494) is ethyl 6,8-dichloro-4-(5-chloro-2-methoxyanilino)quinoline-3-carboxylate.
What is the SMILES notation for ethyl 6,8-dichloro-4-(5-chloro-2-methoxyanilino)quinoline-3-carboxylate?
The canonical SMILES for ethyl 6,8-dichloro-4-(5-chloro-2-methoxyanilino)quinoline-3-carboxylate is CCOC(=O)c1cnc2c(Cl)cc(Cl)cc2c1Nc1cc(Cl)ccc1OC.
What is the InChIKey of ethyl 6,8-dichloro-4-(5-chloro-2-methoxyanilino)quinoline-3-carboxylate?
The InChIKey is RWYIOZRDFAVYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl3N2O3/c1-3-27-19(25)13-9-23-18-12(6-11(21)7-14(18)22)17(13)24-15-8-10(20)4-5-16(15)26-2/h4-9H,3H2,1-2H3,(H,23,24).
What are the key properties of ethyl 6,8-dichloro-4-(5-chloro-2-methoxyanilino)quinoline-3-carboxylate?
ethyl 6,8-dichloro-4-(5-chloro-2-methoxyanilino)quinoline-3-carboxylate has a molecular weight of 425.70 g/mol, XLogP of 6.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6,8-dichloro-4-(5-chloro-2-methoxyanilino)quinoline-3-carboxylate is sourced from PubChem (CID 23853494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).