methyl 4-chloro-8-ethylquinoline-3-carboxylate

C13H12ClNO2 — CID 102614374

IUPACmethyl 4-chloro-8-ethylquinoline-3-carboxylate
SMILESCCc1cccc2c(Cl)c(C(=O)OC)cnc12
InChIInChI=1S/C13H12ClNO2/c1-3-8-5-4-6-9-11(14)10(13(16)17-2)7-15-12(8)9/h4-7H,3H2,1-2H3
InChIKeyLPRVOEIBFDAUTE-UHFFFAOYSA-N
MW249.70 g/mol
LogP3.24
Rot. Bonds2

About methyl 4-chloro-8-ethylquinoline-3-carboxylate

methyl 4-chloro-8-ethylquinoline-3-carboxylate (PubChem CID 102614374) has the molecular formula C13H12ClNO2 and a molecular weight of 249.70 g/mol. Its IUPAC name is methyl 4-chloro-8-ethylquinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-8-ethylquinoline-3-carboxylate
PubChem CID102614374
Molecular FormulaC13H12ClNO2
Molecular Weight249.70 g/mol
Exact Mass249.06
IUPAC Namemethyl 4-chloro-8-ethylquinoline-3-carboxylate
SMILESCCc1cccc2c(Cl)c(C(=O)OC)cnc12
InChIInChI=1S/C13H12ClNO2/c1-3-8-5-4-6-9-11(14)10(13(16)17-2)7-15-12(8)9/h4-7H,3H2,1-2H3
InChIKeyLPRVOEIBFDAUTE-UHFFFAOYSA-N
XLogP3.24
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4,8-dichloroquinoline-3-carboxylate
CID 112703942
methyl 8-ethylquinoline-4-carboxylate
CID 102941710
methyl 4,7,8-trichloroquinoline-3-carboxylate
CID 102614405
ethyl 4,8-dichloroquinoline-3-carboxylate
CID 728974
ethyl 4-chloro-8-iodoquinoline-3-carboxylate
CID 11792955
methyl 4-chloro-6-(2,6-diethylphenyl)pyridine-3-carboxylate
CID 59678159
4-amino-8-ethylquinoline-3-carbohydrazide
CID 54772803
ethyl 4-chloro-8-phenylquinoline-3-carboxylate
CID 18549723
methyl 4,5,8-trichloroquinoline-3-carboxylate
CID 102614359
methyl 4,6-dichloro-8-methylquinoline-3-carboxylate
CID 102614436
ethyl 4-chloro-8-(trifluoromethoxy)quinoline-3-carboxylate
CID 29272013
4-chloro-8-fluoro-N-(methoxymethyl)quinoline-3-carboxamide
CID 67511384

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-8-ethylquinoline-3-carboxylate?
The IUPAC name of methyl 4-chloro-8-ethylquinoline-3-carboxylate (CID 102614374) is methyl 4-chloro-8-ethylquinoline-3-carboxylate.
What is the SMILES notation for methyl 4-chloro-8-ethylquinoline-3-carboxylate?
The canonical SMILES for methyl 4-chloro-8-ethylquinoline-3-carboxylate is CCc1cccc2c(Cl)c(C(=O)OC)cnc12.
What is the InChIKey of methyl 4-chloro-8-ethylquinoline-3-carboxylate?
The InChIKey is LPRVOEIBFDAUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO2/c1-3-8-5-4-6-9-11(14)10(13(16)17-2)7-15-12(8)9/h4-7H,3H2,1-2H3.
What are the key properties of methyl 4-chloro-8-ethylquinoline-3-carboxylate?
methyl 4-chloro-8-ethylquinoline-3-carboxylate has a molecular weight of 249.70 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-8-ethylquinoline-3-carboxylate is sourced from PubChem (CID 102614374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).