ethyl 3,4-difluoroquinoline-2-carboxylate

C12H9F2NO2 — CID 175398160

IUPACethyl 3,4-difluoroquinoline-2-carboxylate
SMILESCCOC(=O)c1nc2ccccc2c(F)c1F
InChIInChI=1S/C12H9F2NO2/c1-2-17-12(16)11-10(14)9(13)7-5-3-4-6-8(7)15-11/h3-6H,2H2,1H3
InChIKeyUTWHGAYEGSYIIW-UHFFFAOYSA-N
MW237.20 g/mol
LogP2.69
Rot. Bonds2

About ethyl 3,4-difluoroquinoline-2-carboxylate

ethyl 3,4-difluoroquinoline-2-carboxylate (PubChem CID 175398160) has the molecular formula C12H9F2NO2 and a molecular weight of 237.20 g/mol. Its IUPAC name is ethyl 3,4-difluoroquinoline-2-carboxylate.

Molecular Properties

Compound Nameethyl 3,4-difluoroquinoline-2-carboxylate
PubChem CID175398160
Molecular FormulaC12H9F2NO2
Molecular Weight237.20 g/mol
Exact Mass237.06
IUPAC Nameethyl 3,4-difluoroquinoline-2-carboxylate
SMILESCCOC(=O)c1nc2ccccc2c(F)c1F
InChIInChI=1S/C12H9F2NO2/c1-2-17-12(16)11-10(14)9(13)7-5-3-4-6-8(7)15-11/h3-6H,2H2,1H3
InChIKeyUTWHGAYEGSYIIW-UHFFFAOYSA-N
XLogP2.69
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.20
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

diethyl 4-chloroquinoline-2,3-dicarboxylate
CID 169101735
ethyl 4-fluoroquinoline-2-carboxylate
CID 125473134
diethyl 4-acetyloxyquinoline-2,3-dicarboxylate
CID 132505447
ethyl 3-acetyl-4-tert-butylquinoline-2-carboxylate
CID 70912053
ethyl 4-fluoro-3-methyl-9-phenylacridine-1-carboxylate
CID 175227230
ethyl 7-bromo-4,6-dichloro-3-fluoroquinoline-2-carboxylate
CID 172700717
ethyl 4-(4-fluorophenyl)-2-methylquinoline-3-carboxylate
CID 11594733
ethyl cyclohepta[f]indazole-3-carboxylate
CID 150801024
diethyl 6-fluoroquinoline-2,3-dicarboxylate
CID 13351927
ethyl 5-bromo-3-ethylquinoline-2-carboxylate
CID 176885613
ethyl 5-oxo-3H-triazolo[1,5-c]quinazoline-1-carboxylate
CID 177234656
ethyl 2-amino-4-chloroquinoline-3-carboxylate
CID 141107450

Frequently Asked Questions

What is the IUPAC name of ethyl 3,4-difluoroquinoline-2-carboxylate?
The IUPAC name of ethyl 3,4-difluoroquinoline-2-carboxylate (CID 175398160) is ethyl 3,4-difluoroquinoline-2-carboxylate.
What is the SMILES notation for ethyl 3,4-difluoroquinoline-2-carboxylate?
The canonical SMILES for ethyl 3,4-difluoroquinoline-2-carboxylate is CCOC(=O)c1nc2ccccc2c(F)c1F.
What is the InChIKey of ethyl 3,4-difluoroquinoline-2-carboxylate?
The InChIKey is UTWHGAYEGSYIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2NO2/c1-2-17-12(16)11-10(14)9(13)7-5-3-4-6-8(7)15-11/h3-6H,2H2,1H3.
What are the key properties of ethyl 3,4-difluoroquinoline-2-carboxylate?
ethyl 3,4-difluoroquinoline-2-carboxylate has a molecular weight of 237.20 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3,4-difluoroquinoline-2-carboxylate is sourced from PubChem (CID 175398160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).