diethyl 6-fluoroquinoline-2,3-dicarboxylate

C15H14FNO4 — CID 13351927

IUPACdiethyl 6-fluoroquinoline-2,3-dicarboxylate
SMILESCCOC(=O)c1cc2cc(F)ccc2nc1C(=O)OCC
InChIInChI=1S/C15H14FNO4/c1-3-20-14(18)11-8-9-7-10(16)5-6-12(9)17-13(11)15(19)21-4-2/h5-8H,3-4H2,1-2H3
InChIKeyCAGDPCQGJPGFON-UHFFFAOYSA-N
MW291.28 g/mol
LogP2.73
Rot. Bonds4

About diethyl 6-fluoroquinoline-2,3-dicarboxylate

diethyl 6-fluoroquinoline-2,3-dicarboxylate (PubChem CID 13351927) has the molecular formula C15H14FNO4 and a molecular weight of 291.28 g/mol. Its IUPAC name is diethyl 6-fluoroquinoline-2,3-dicarboxylate.

Molecular Properties

Compound Namediethyl 6-fluoroquinoline-2,3-dicarboxylate
PubChem CID13351927
Molecular FormulaC15H14FNO4
Molecular Weight291.28 g/mol
Exact Mass291.09
IUPAC Namediethyl 6-fluoroquinoline-2,3-dicarboxylate
SMILESCCOC(=O)c1cc2cc(F)ccc2nc1C(=O)OCC
InChIInChI=1S/C15H14FNO4/c1-3-20-14(18)11-8-9-7-10(16)5-6-12(9)17-13(11)15(19)21-4-2/h5-8H,3-4H2,1-2H3
InChIKeyCAGDPCQGJPGFON-UHFFFAOYSA-N
XLogP2.73
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze diethyl 6-fluoroquinoline-2,3-dicarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;ethyl 5-fluoro-2-methylbenzoate
CID 143556291
ethyl 5-fluoro-2-formylbenzoate
CID 124705480
ethyl 7-fluoro-2-(trifluoromethyl)quinoline-3-carboxylate
CID 169224642
2-(2-ethoxycarbonyl-4-fluorophenyl)acetic acid
CID 91882242
6-fluoro-2-methylquinoline-3-carboxamide
CID 945082
diethyl 6-fluoro-1-hydroxynaphthalene-2,3-dicarboxylate
CID 143526061
ethyl 6-fluoro-1-methylbenzimidazole-2-carboxylate
CID 63357942
ethyl 2-chloro-7-fluoroquinoline-4-carboxylate
CID 170330637
ethyl 6-bromo-3-ethylquinoline-2-carboxylate
CID 11551308
2-O-ethyl 3-O-methyl 7-methoxyquinoline-2,3-dicarboxylate
CID 134910532
ethyl 5-fluoro-2-propan-2-yloxybenzoate
CID 82551429
ethyl 3,4-difluoroquinoline-2-carboxylate
CID 175398160

Frequently Asked Questions

What is the IUPAC name of diethyl 6-fluoroquinoline-2,3-dicarboxylate?
The IUPAC name of diethyl 6-fluoroquinoline-2,3-dicarboxylate (CID 13351927) is diethyl 6-fluoroquinoline-2,3-dicarboxylate.
What is the SMILES notation for diethyl 6-fluoroquinoline-2,3-dicarboxylate?
The canonical SMILES for diethyl 6-fluoroquinoline-2,3-dicarboxylate is CCOC(=O)c1cc2cc(F)ccc2nc1C(=O)OCC.
What is the InChIKey of diethyl 6-fluoroquinoline-2,3-dicarboxylate?
The InChIKey is CAGDPCQGJPGFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO4/c1-3-20-14(18)11-8-9-7-10(16)5-6-12(9)17-13(11)15(19)21-4-2/h5-8H,3-4H2,1-2H3.
What are the key properties of diethyl 6-fluoroquinoline-2,3-dicarboxylate?
diethyl 6-fluoroquinoline-2,3-dicarboxylate has a molecular weight of 291.28 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 6-fluoroquinoline-2,3-dicarboxylate is sourced from PubChem (CID 13351927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).