N-(2-chloro-4-fluorophenyl)-2-methylquinoline-4-carboxamide

C17H12ClFN2O — CID 26364307

IUPACN-(2-chloro-4-fluorophenyl)-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(F)cc2Cl)c2ccccc2n1
InChIInChI=1S/C17H12ClFN2O/c1-10-8-13(12-4-2-3-5-15(12)20-10)17(22)21-16-7-6-11(19)9-14(16)18/h2-9H,1H3,(H,21,22)
InChIKeyKFPUDUDIVNZVGX-UHFFFAOYSA-N
MW314.75 g/mol
LogP4.59
Rot. Bonds2

About N-(2-chloro-4-fluorophenyl)-2-methylquinoline-4-carboxamide

N-(2-chloro-4-fluorophenyl)-2-methylquinoline-4-carboxamide (PubChem CID 26364307) has the molecular formula C17H12ClFN2O and a molecular weight of 314.75 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-2-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-2-methylquinoline-4-carboxamide
PubChem CID26364307
Molecular FormulaC17H12ClFN2O
Molecular Weight314.75 g/mol
Exact Mass314.06
IUPAC NameN-(2-chloro-4-fluorophenyl)-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(F)cc2Cl)c2ccccc2n1
InChIInChI=1S/C17H12ClFN2O/c1-10-8-13(12-4-2-3-5-15(12)20-10)17(22)21-16-7-6-11(19)9-14(16)18/h2-9H,1H3,(H,21,22)
InChIKeyKFPUDUDIVNZVGX-UHFFFAOYSA-N
XLogP4.59
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.75
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chlorophenyl)-2-methylquinoline-4-carboxamide
CID 856039
N-(2-amino-4-fluorophenyl)-2-methylquinoline-4-carboxamide
CID 24710172
N-(2-chloro-4-fluorophenyl)-2-(furan-2-yl)quinoline-4-carboxamide
CID 8011201
N-(2-fluoro-4-methylphenyl)-2-methylquinoline-4-carboxamide
CID 17451783
N-(5-amino-2-fluorophenyl)-2-methylquinoline-4-carboxamide
CID 24698449
N-(2-fluoro-5-methylphenyl)-2-methylquinoline-4-carboxamide
CID 17434472
N-(5-chloro-2,4-dimethoxyphenyl)-2-methylquinoline-4-carboxamide
CID 26210631
2-(4-chlorophenyl)-N-(2,4-difluorophenyl)quinoline-4-carboxamide
CID 2165659
2-[(6-fluoro-2-methylquinoline-4-carbonyl)amino]-5-iodobenzoic acid
CID 108789589
2-methyl-N-(4-methyl-1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 2085562
N-(2-ethylsulfonylphenyl)-2-methylquinoline-4-carboxamide
CID 55613609
N-(2-chloro-4,6-dimethylphenyl)-6-fluoro-2-methylquinoline-4-carboxamide
CID 108789682

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-2-methylquinoline-4-carboxamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-2-methylquinoline-4-carboxamide (CID 26364307) is N-(2-chloro-4-fluorophenyl)-2-methylquinoline-4-carboxamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-2-methylquinoline-4-carboxamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-2-methylquinoline-4-carboxamide is Cc1cc(C(=O)Nc2ccc(F)cc2Cl)c2ccccc2n1.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-2-methylquinoline-4-carboxamide?
The InChIKey is KFPUDUDIVNZVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClFN2O/c1-10-8-13(12-4-2-3-5-15(12)20-10)17(22)21-16-7-6-11(19)9-14(16)18/h2-9H,1H3,(H,21,22).
What are the key properties of N-(2-chloro-4-fluorophenyl)-2-methylquinoline-4-carboxamide?
N-(2-chloro-4-fluorophenyl)-2-methylquinoline-4-carboxamide has a molecular weight of 314.75 g/mol, XLogP of 4.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-2-methylquinoline-4-carboxamide is sourced from PubChem (CID 26364307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).