ethyl 6-bromo-4-chloro-5-fluoro-7-methoxyquinoline-3-carboxylate

C13H10BrClFNO3 — CID 163217955

IUPACethyl 6-bromo-4-chloro-5-fluoro-7-methoxyquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2cc(OC)c(Br)c(F)c2c1Cl
InChIInChI=1S/C13H10BrClFNO3/c1-3-20-13(18)6-5-17-7-4-8(19-2)10(14)12(16)9(7)11(6)15/h4-5H,3H2,1-2H3
InChIKeyFZUFQWSGGVSJSJ-UHFFFAOYSA-N
MW362.58 g/mol
LogP3.98
Rot. Bonds3

About ethyl 6-bromo-4-chloro-5-fluoro-7-methoxyquinoline-3-carboxylate

ethyl 6-bromo-4-chloro-5-fluoro-7-methoxyquinoline-3-carboxylate (PubChem CID 163217955) has the molecular formula C13H10BrClFNO3 and a molecular weight of 362.58 g/mol. Its IUPAC name is ethyl 6-bromo-4-chloro-5-fluoro-7-methoxyquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-bromo-4-chloro-5-fluoro-7-methoxyquinoline-3-carboxylate
PubChem CID163217955
Molecular FormulaC13H10BrClFNO3
Molecular Weight362.58 g/mol
Exact Mass360.95
IUPAC Nameethyl 6-bromo-4-chloro-5-fluoro-7-methoxyquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2cc(OC)c(Br)c(F)c2c1Cl
InChIInChI=1S/C13H10BrClFNO3/c1-3-20-13(18)6-5-17-7-4-8(19-2)10(14)12(16)9(7)11(6)15/h4-5H,3H2,1-2H3
InChIKeyFZUFQWSGGVSJSJ-UHFFFAOYSA-N
XLogP3.98
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.58
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-bromo-4-chloro-6,8-difluoroquinoline-3-carboxylate
CID 102854004
ethyl 4-chloro-7-fluoro-6-methoxyquinoline-3-carboxylate
CID 22136427
ethyl 4-chloro-5,7-dimethylquinoline-3-carboxylate
CID 1479090
methyl 4-chloro-5,6,7-trifluoroquinoline-3-carboxylate
CID 102614483
ethyl 4-chloro-5,8-difluoroquinoline-3-carboxylate
CID 17040076
ethyl 4-chloro-7-hydroxyquinoline-3-carboxylate
CID 135735505
ethyl 4-chloro-6-(dimethylamino)quinoline-3-carboxylate
CID 43617132
ethyl 7-chloro-6-methoxy-4-(methylamino)quinoline-3-carboxylate
CID 54773034
ethyl 7-chloro-4-(dimethylamino)-6-methoxyquinoline-3-carboxylate
CID 54772978
ethyl 6-chloro-4-hydrazinyl-7-methoxyquinoline-3-carboxylate
CID 107623171
ethyl 4,6-dichloro-7-(trifluoromethyl)quinoline-3-carboxylate
CID 66487307
methyl 4-chloro-6,7-dimethoxyquinoline-3-carboxylate
CID 102614410

Frequently Asked Questions

What is the IUPAC name of ethyl 6-bromo-4-chloro-5-fluoro-7-methoxyquinoline-3-carboxylate?
The IUPAC name of ethyl 6-bromo-4-chloro-5-fluoro-7-methoxyquinoline-3-carboxylate (CID 163217955) is ethyl 6-bromo-4-chloro-5-fluoro-7-methoxyquinoline-3-carboxylate.
What is the SMILES notation for ethyl 6-bromo-4-chloro-5-fluoro-7-methoxyquinoline-3-carboxylate?
The canonical SMILES for ethyl 6-bromo-4-chloro-5-fluoro-7-methoxyquinoline-3-carboxylate is CCOC(=O)c1cnc2cc(OC)c(Br)c(F)c2c1Cl.
What is the InChIKey of ethyl 6-bromo-4-chloro-5-fluoro-7-methoxyquinoline-3-carboxylate?
The InChIKey is FZUFQWSGGVSJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClFNO3/c1-3-20-13(18)6-5-17-7-4-8(19-2)10(14)12(16)9(7)11(6)15/h4-5H,3H2,1-2H3.
What are the key properties of ethyl 6-bromo-4-chloro-5-fluoro-7-methoxyquinoline-3-carboxylate?
ethyl 6-bromo-4-chloro-5-fluoro-7-methoxyquinoline-3-carboxylate has a molecular weight of 362.58 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-bromo-4-chloro-5-fluoro-7-methoxyquinoline-3-carboxylate is sourced from PubChem (CID 163217955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).