methyl 5-chloro-4-ethoxy-8-fluoroquinoline-2-carboxylate

C13H11ClFNO3 — CID 102941888

IUPACmethyl 5-chloro-4-ethoxy-8-fluoroquinoline-2-carboxylate
SMILESCCOc1cc(C(=O)OC)nc2c(F)ccc(Cl)c12
InChIInChI=1S/C13H11ClFNO3/c1-3-19-10-6-9(13(17)18-2)16-12-8(15)5-4-7(14)11(10)12/h4-6H,3H2,1-2H3
InChIKeyQFDDPMYGPHFVAQ-UHFFFAOYSA-N
MW283.69 g/mol
LogP3.21
Rot. Bonds3

About methyl 5-chloro-4-ethoxy-8-fluoroquinoline-2-carboxylate

methyl 5-chloro-4-ethoxy-8-fluoroquinoline-2-carboxylate (PubChem CID 102941888) has the molecular formula C13H11ClFNO3 and a molecular weight of 283.69 g/mol. Its IUPAC name is methyl 5-chloro-4-ethoxy-8-fluoroquinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-chloro-4-ethoxy-8-fluoroquinoline-2-carboxylate
PubChem CID102941888
Molecular FormulaC13H11ClFNO3
Molecular Weight283.69 g/mol
Exact Mass283.04
IUPAC Namemethyl 5-chloro-4-ethoxy-8-fluoroquinoline-2-carboxylate
SMILESCCOc1cc(C(=O)OC)nc2c(F)ccc(Cl)c12
InChIInChI=1S/C13H11ClFNO3/c1-3-19-10-6-9(13(17)18-2)16-12-8(15)5-4-7(14)11(10)12/h4-6H,3H2,1-2H3
InChIKeyQFDDPMYGPHFVAQ-UHFFFAOYSA-N
XLogP3.21
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.69
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 5-chloro-4-ethoxy-8-fluoroquinoline-2-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

methyl 5-bromo-4-ethoxy-6,8-difluoroquinoline-2-carboxylate
CID 102942154
methyl 4-ethoxy-5,7,8-trifluoroquinoline-2-carboxylate
CID 102942041
methyl 4-chloro-8-ethoxyquinoline-2-carboxylate
CID 63376560
methyl 6,8-dibromo-4-ethoxy-5-methoxyquinoline-2-carboxylate
CID 103416918
methyl 8-bromo-4-ethoxy-5-methoxyquinoline-2-carboxylate
CID 102942093
methyl 5-chloro-8-fluoroquinoline-2-carboxylate
CID 102941497
methyl 4-ethoxy-6,7-difluoroquinoline-2-carboxylate
CID 102941956
methyl 4,8-dichloro-7-fluoroquinoline-2-carboxylate
CID 171157588
methyl 5-bromo-8-fluoro-4-propan-2-yloxyquinoline-2-carboxylate
CID 102942028
8-chloro-5-fluoro-4-methoxyquinoline-2-carboxylic acid
CID 107531464
methyl 7-chloro-8-fluoroquinoline-2-carboxylate
CID 102941458
dimethyl 4-ethoxypyridine-2,6-dicarboxylate
CID 73212602

Frequently Asked Questions

What is the IUPAC name of methyl 5-chloro-4-ethoxy-8-fluoroquinoline-2-carboxylate?
The IUPAC name of methyl 5-chloro-4-ethoxy-8-fluoroquinoline-2-carboxylate (CID 102941888) is methyl 5-chloro-4-ethoxy-8-fluoroquinoline-2-carboxylate.
What is the SMILES notation for methyl 5-chloro-4-ethoxy-8-fluoroquinoline-2-carboxylate?
The canonical SMILES for methyl 5-chloro-4-ethoxy-8-fluoroquinoline-2-carboxylate is CCOc1cc(C(=O)OC)nc2c(F)ccc(Cl)c12.
What is the InChIKey of methyl 5-chloro-4-ethoxy-8-fluoroquinoline-2-carboxylate?
The InChIKey is QFDDPMYGPHFVAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFNO3/c1-3-19-10-6-9(13(17)18-2)16-12-8(15)5-4-7(14)11(10)12/h4-6H,3H2,1-2H3.
What are the key properties of methyl 5-chloro-4-ethoxy-8-fluoroquinoline-2-carboxylate?
methyl 5-chloro-4-ethoxy-8-fluoroquinoline-2-carboxylate has a molecular weight of 283.69 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-chloro-4-ethoxy-8-fluoroquinoline-2-carboxylate is sourced from PubChem (CID 102941888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).