methyl 4-(4-chloro-2-fluorophenyl)-3-methylquinoline-6-carboxylate

C18H13ClFNO2 — CID 67961047

IUPACmethyl 4-(4-chloro-2-fluorophenyl)-3-methylquinoline-6-carboxylate
SMILESCOC(=O)c1ccc2ncc(C)c(-c3ccc(Cl)cc3F)c2c1
InChIInChI=1S/C18H13ClFNO2/c1-10-9-21-16-6-3-11(18(22)23-2)7-14(16)17(10)13-5-4-12(19)8-15(13)20/h3-9H,1-2H3
InChIKeyIILWXLIJWQBRMP-UHFFFAOYSA-N
MW329.76 g/mol
LogP4.79
Rot. Bonds2

About methyl 4-(4-chloro-2-fluorophenyl)-3-methylquinoline-6-carboxylate

methyl 4-(4-chloro-2-fluorophenyl)-3-methylquinoline-6-carboxylate (PubChem CID 67961047) has the molecular formula C18H13ClFNO2 and a molecular weight of 329.76 g/mol. Its IUPAC name is methyl 4-(4-chloro-2-fluorophenyl)-3-methylquinoline-6-carboxylate.

Molecular Properties

Compound Namemethyl 4-(4-chloro-2-fluorophenyl)-3-methylquinoline-6-carboxylate
PubChem CID67961047
Molecular FormulaC18H13ClFNO2
Molecular Weight329.76 g/mol
Exact Mass329.06
IUPAC Namemethyl 4-(4-chloro-2-fluorophenyl)-3-methylquinoline-6-carboxylate
SMILESCOC(=O)c1ccc2ncc(C)c(-c3ccc(Cl)cc3F)c2c1
InChIInChI=1S/C18H13ClFNO2/c1-10-9-21-16-6-3-11(18(22)23-2)7-14(16)17(10)13-5-4-12(19)8-15(13)20/h3-9H,1-2H3
InChIKeyIILWXLIJWQBRMP-UHFFFAOYSA-N
XLogP4.79
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.76
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl quinoline-6-carboxylate
CID 736812
Ethyl 4-chlorobenzo[h]quinoline-3-carboxylate
CID 625232
6-Quinolinecarboxylic acid, ethyl ester
CID 94670
Ethyl 4-Chloroquinoline-3-carboxylate
CID 268963
Methyl 2-(4-chlorophenyl)quinoline-4-carboxylate
CID 698742
Ethyl 4-[benzyl(methyl)amino]-6-methylquinoline-3-carboxylate
CID 696527
2-Oxo-2-phenylethyl 2-(4-chlorophenyl)-6-methylquinoline-4-carboxylate
CID 1635339
Methyl 4-[(3-chloro-2-methylphenyl)amino]-2-methylquinoline-6-carboxylate
CID 730947
Methyl 5-(4-chlorophenyl)benzo[c][2,6]naphthyridine-8-carboxylate
CID 57401422
4-[(7-Chloroquinolin-4-yl)amino]benzoic acid
CID 686283
Methyl quinoline-3-carboxylate
CID 257955
4-methylquinoline-6-carboxylic Acid
CID 4392676

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-chloro-2-fluorophenyl)-3-methylquinoline-6-carboxylate?
The IUPAC name of methyl 4-(4-chloro-2-fluorophenyl)-3-methylquinoline-6-carboxylate (CID 67961047) is methyl 4-(4-chloro-2-fluorophenyl)-3-methylquinoline-6-carboxylate.
What is the SMILES notation for methyl 4-(4-chloro-2-fluorophenyl)-3-methylquinoline-6-carboxylate?
The canonical SMILES for methyl 4-(4-chloro-2-fluorophenyl)-3-methylquinoline-6-carboxylate is COC(=O)c1ccc2ncc(C)c(-c3ccc(Cl)cc3F)c2c1.
What is the InChIKey of methyl 4-(4-chloro-2-fluorophenyl)-3-methylquinoline-6-carboxylate?
The InChIKey is IILWXLIJWQBRMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFNO2/c1-10-9-21-16-6-3-11(18(22)23-2)7-14(16)17(10)13-5-4-12(19)8-15(13)20/h3-9H,1-2H3.
What are the key properties of methyl 4-(4-chloro-2-fluorophenyl)-3-methylquinoline-6-carboxylate?
methyl 4-(4-chloro-2-fluorophenyl)-3-methylquinoline-6-carboxylate has a molecular weight of 329.76 g/mol, XLogP of 4.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-chloro-2-fluorophenyl)-3-methylquinoline-6-carboxylate is sourced from PubChem (CID 67961047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).