ethyl 4-chloro-5,7-dimethylquinoline-3-carboxylate

C14H14ClNO2 — CID 1479090

IUPACethyl 4-chloro-5,7-dimethylquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2cc(C)cc(C)c2c1Cl
InChIInChI=1S/C14H14ClNO2/c1-4-18-14(17)10-7-16-11-6-8(2)5-9(3)12(11)13(10)15/h5-7H,4H2,1-3H3
InChIKeyVTIBBHSQWPMQAQ-UHFFFAOYSA-N
MW263.72 g/mol
LogP3.68
Rot. Bonds2

About ethyl 4-chloro-5,7-dimethylquinoline-3-carboxylate

ethyl 4-chloro-5,7-dimethylquinoline-3-carboxylate (PubChem CID 1479090) has the molecular formula C14H14ClNO2 and a molecular weight of 263.72 g/mol. Its IUPAC name is ethyl 4-chloro-5,7-dimethylquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-chloro-5,7-dimethylquinoline-3-carboxylate
PubChem CID1479090
Molecular FormulaC14H14ClNO2
Molecular Weight263.72 g/mol
Exact Mass263.07
IUPAC Nameethyl 4-chloro-5,7-dimethylquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2cc(C)cc(C)c2c1Cl
InChIInChI=1S/C14H14ClNO2/c1-4-18-14(17)10-7-16-11-6-8(2)5-9(3)12(11)13(10)15/h5-7H,4H2,1-3H3
InChIKeyVTIBBHSQWPMQAQ-UHFFFAOYSA-N
XLogP3.68
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.72
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 4-chloro-5,7-dimethylquinoline-3-carboxylate 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

ethyl 4-chloro-6,8-dimethylquinoline-3-carboxylate
CID 3352918
ethyl 6-bromo-4-chloro-5-fluoro-7-methoxyquinoline-3-carboxylate
CID 163217955
ethyl 4-chloro-7-hydroxyquinoline-3-carboxylate
CID 135735505
ethyl 4-chloro-6-(dimethylamino)quinoline-3-carboxylate
CID 43617132
ethyl 4-chloro-5-iodo-8-methylquinoline-3-carboxylate
CID 114257610
ethyl 4-chloro-5,8-difluoroquinoline-3-carboxylate
CID 17040076
ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate
CID 122442696
ethyl 3-amino-2-chloro-5-methylbenzoate
CID 131383830
ethyl 4-chloro-6-propylquinoline-3-carboxylate
CID 30058351
ethyl 5-bromo-4-chloro-6,8-difluoroquinoline-3-carboxylate
CID 102854004
ethyl 4-chloro-7-fluoro-6-methoxyquinoline-3-carboxylate
CID 22136427
ethyl 4,6-dichloro-7-(trifluoromethyl)quinoline-3-carboxylate
CID 66487307

Frequently Asked Questions

What is the IUPAC name of ethyl 4-chloro-5,7-dimethylquinoline-3-carboxylate?
The IUPAC name of ethyl 4-chloro-5,7-dimethylquinoline-3-carboxylate (CID 1479090) is ethyl 4-chloro-5,7-dimethylquinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-chloro-5,7-dimethylquinoline-3-carboxylate?
The canonical SMILES for ethyl 4-chloro-5,7-dimethylquinoline-3-carboxylate is CCOC(=O)c1cnc2cc(C)cc(C)c2c1Cl.
What is the InChIKey of ethyl 4-chloro-5,7-dimethylquinoline-3-carboxylate?
The InChIKey is VTIBBHSQWPMQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2/c1-4-18-14(17)10-7-16-11-6-8(2)5-9(3)12(11)13(10)15/h5-7H,4H2,1-3H3.
What are the key properties of ethyl 4-chloro-5,7-dimethylquinoline-3-carboxylate?
ethyl 4-chloro-5,7-dimethylquinoline-3-carboxylate has a molecular weight of 263.72 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-chloro-5,7-dimethylquinoline-3-carboxylate is sourced from PubChem (CID 1479090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).