ethyl 6-chloro-3-fluoroquinoline-4-carboxylate

C12H9ClFNO2 — CID 164533136

IUPACethyl 6-chloro-3-fluoroquinoline-4-carboxylate
SMILESCCOC(=O)c1c(F)cnc2ccc(Cl)cc12
InChIInChI=1S/C12H9ClFNO2/c1-2-17-12(16)11-8-5-7(13)3-4-10(8)15-6-9(11)14/h3-6H,2H2,1H3
InChIKeyVNKVUJCMCRRXBH-UHFFFAOYSA-N
MW253.66 g/mol
LogP3.20
Rot. Bonds2

About ethyl 6-chloro-3-fluoroquinoline-4-carboxylate

ethyl 6-chloro-3-fluoroquinoline-4-carboxylate (PubChem CID 164533136) has the molecular formula C12H9ClFNO2 and a molecular weight of 253.66 g/mol. Its IUPAC name is ethyl 6-chloro-3-fluoroquinoline-4-carboxylate.

Molecular Properties

Compound Nameethyl 6-chloro-3-fluoroquinoline-4-carboxylate
PubChem CID164533136
Molecular FormulaC12H9ClFNO2
Molecular Weight253.66 g/mol
Exact Mass253.03
IUPAC Nameethyl 6-chloro-3-fluoroquinoline-4-carboxylate
SMILESCCOC(=O)c1c(F)cnc2ccc(Cl)cc12
InChIInChI=1S/C12H9ClFNO2/c1-2-17-12(16)11-8-5-7(13)3-4-10(8)15-6-9(11)14/h3-6H,2H2,1H3
InChIKeyVNKVUJCMCRRXBH-UHFFFAOYSA-N
XLogP3.20
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.66
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 6-chloro-4-propan-2-ylquinoline-3-carboxylate
CID 169258410
ethyl 4,6-dichloro-2-methylsulfanylquinoline-3-carboxylate
CID 2736409
2-O-ethyl 3-O,4-O-dimethyl 6-chloroquinoline-2,3,4-tricarboxylate
CID 175839790
ethyl 4-amino-7-chloroquinoline-3-carboxylate
CID 609428
ethyl 6-chloro-4-(2-phenylhydrazinyl)quinoline-3-carboxylate
CID 17016638
ethyl 4-(4-aminoanilino)-6-chloroquinoline-3-carboxylate
CID 66715427
ethyl 3-chloro-2-ethoxy-6-fluorobenzoate
CID 163198213
ethyl 2-chloro-3,6-difluorobenzoate
CID 46311291
ethyl 6-chloro-2-methyl-4-phenylquinoline-3-carboxylate
CID 629761
ethyl 6-chloro-2-methylsulfanyl-4-phenoxyquinoline-3-carboxylate
CID 2822561
ethyl 4-chloro-7-hydroxyquinoline-3-carboxylate
CID 135735505
ethyl 4-chloro-6-propylquinoline-3-carboxylate
CID 30058351

Frequently Asked Questions

What is the IUPAC name of ethyl 6-chloro-3-fluoroquinoline-4-carboxylate?
The IUPAC name of ethyl 6-chloro-3-fluoroquinoline-4-carboxylate (CID 164533136) is ethyl 6-chloro-3-fluoroquinoline-4-carboxylate.
What is the SMILES notation for ethyl 6-chloro-3-fluoroquinoline-4-carboxylate?
The canonical SMILES for ethyl 6-chloro-3-fluoroquinoline-4-carboxylate is CCOC(=O)c1c(F)cnc2ccc(Cl)cc12.
What is the InChIKey of ethyl 6-chloro-3-fluoroquinoline-4-carboxylate?
The InChIKey is VNKVUJCMCRRXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFNO2/c1-2-17-12(16)11-8-5-7(13)3-4-10(8)15-6-9(11)14/h3-6H,2H2,1H3.
What are the key properties of ethyl 6-chloro-3-fluoroquinoline-4-carboxylate?
ethyl 6-chloro-3-fluoroquinoline-4-carboxylate has a molecular weight of 253.66 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-chloro-3-fluoroquinoline-4-carboxylate is sourced from PubChem (CID 164533136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).