diethyl 4-chloroquinoline-2,3-dicarboxylate

C15H14ClNO4 — CID 169101735

IUPACdiethyl 4-chloroquinoline-2,3-dicarboxylate
SMILESCCOC(=O)c1nc2ccccc2c(Cl)c1C(=O)OCC
InChIInChI=1S/C15H14ClNO4/c1-3-20-14(18)11-12(16)9-7-5-6-8-10(9)17-13(11)15(19)21-4-2/h5-8H,3-4H2,1-2H3
InChIKeyJFMJMDYSNHWFLU-UHFFFAOYSA-N
MW307.73 g/mol
LogP3.24
Rot. Bonds4

About diethyl 4-chloroquinoline-2,3-dicarboxylate

diethyl 4-chloroquinoline-2,3-dicarboxylate (PubChem CID 169101735) has the molecular formula C15H14ClNO4 and a molecular weight of 307.73 g/mol. Its IUPAC name is diethyl 4-chloroquinoline-2,3-dicarboxylate.

Molecular Properties

Compound Namediethyl 4-chloroquinoline-2,3-dicarboxylate
PubChem CID169101735
Molecular FormulaC15H14ClNO4
Molecular Weight307.73 g/mol
Exact Mass307.06
IUPAC Namediethyl 4-chloroquinoline-2,3-dicarboxylate
SMILESCCOC(=O)c1nc2ccccc2c(Cl)c1C(=O)OCC
InChIInChI=1S/C15H14ClNO4/c1-3-20-14(18)11-12(16)9-7-5-6-8-10(9)17-13(11)15(19)21-4-2/h5-8H,3-4H2,1-2H3
InChIKeyJFMJMDYSNHWFLU-UHFFFAOYSA-N
XLogP3.24
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.73
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-amino-4-chloroquinoline-3-carboxylate
CID 141107450
diethyl 4-acetyloxyquinoline-2,3-dicarboxylate
CID 132505447
ethyl 3,4-difluoroquinoline-2-carboxylate
CID 175398160
ethyl 2-chloro-4-phenylquinoline-3-carboxylate
CID 15669479
ethyl 3-acetyl-4-tert-butylquinoline-2-carboxylate
CID 70912053
ethyl 4-chloro-2-(cyclopentylamino)quinoline-3-carboxylate
CID 141107459
2-O-ethyl 3-O,4-O-dimethyl 6-chloroquinoline-2,3,4-tricarboxylate
CID 175839790
ethyl 2,4-dichloro-6-methylquinoline-3-carboxylate
CID 21050828
diethyl phenanthrene-9,10-dicarboxylate
CID 135029572
ethyl 4,6-dichloro-2-methylsulfanylquinoline-3-carboxylate
CID 2736409
triethyl 5-methyl-4-phenylpyridine-2,3,6-tricarboxylate
CID 14469073
ethyl 2-methyl-4-pentylquinoline-3-carboxylate
CID 45141729

Frequently Asked Questions

What is the IUPAC name of diethyl 4-chloroquinoline-2,3-dicarboxylate?
The IUPAC name of diethyl 4-chloroquinoline-2,3-dicarboxylate (CID 169101735) is diethyl 4-chloroquinoline-2,3-dicarboxylate.
What is the SMILES notation for diethyl 4-chloroquinoline-2,3-dicarboxylate?
The canonical SMILES for diethyl 4-chloroquinoline-2,3-dicarboxylate is CCOC(=O)c1nc2ccccc2c(Cl)c1C(=O)OCC.
What is the InChIKey of diethyl 4-chloroquinoline-2,3-dicarboxylate?
The InChIKey is JFMJMDYSNHWFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO4/c1-3-20-14(18)11-12(16)9-7-5-6-8-10(9)17-13(11)15(19)21-4-2/h5-8H,3-4H2,1-2H3.
What are the key properties of diethyl 4-chloroquinoline-2,3-dicarboxylate?
diethyl 4-chloroquinoline-2,3-dicarboxylate has a molecular weight of 307.73 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 4-chloroquinoline-2,3-dicarboxylate is sourced from PubChem (CID 169101735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).