N-(4-fluoro-2-methylphenyl)quinoline-4-carboxamide

C17H13FN2O — CID 78814142

IUPACN-(4-fluoro-2-methylphenyl)quinoline-4-carboxamide
SMILESCc1cc(F)ccc1NC(=O)c1ccnc2ccccc12
InChIInChI=1S/C17H13FN2O/c1-11-10-12(18)6-7-15(11)20-17(21)14-8-9-19-16-5-3-2-4-13(14)16/h2-10H,1H3,(H,20,21)
InChIKeyUESSUHDALVLBDL-UHFFFAOYSA-N
MW280.30 g/mol
LogP3.93
Rot. Bonds2

About N-(4-fluoro-2-methylphenyl)quinoline-4-carboxamide

N-(4-fluoro-2-methylphenyl)quinoline-4-carboxamide (PubChem CID 78814142) has the molecular formula C17H13FN2O and a molecular weight of 280.30 g/mol. Its IUPAC name is N-(4-fluoro-2-methylphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-2-methylphenyl)quinoline-4-carboxamide
PubChem CID78814142
Molecular FormulaC17H13FN2O
Molecular Weight280.30 g/mol
Exact Mass280.10
IUPAC NameN-(4-fluoro-2-methylphenyl)quinoline-4-carboxamide
SMILESCc1cc(F)ccc1NC(=O)c1ccnc2ccccc12
InChIInChI=1S/C17H13FN2O/c1-11-10-12(18)6-7-15(11)20-17(21)14-8-9-19-16-5-3-2-4-13(14)16/h2-10H,1H3,(H,20,21)
InChIKeyUESSUHDALVLBDL-UHFFFAOYSA-N
XLogP3.93
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-iodo-2-methylphenyl)quinoline-4-carboxamide
CID 134008388
1-N,2-N-bis(4-fluoro-2-methylphenyl)benzene-1,2-dicarboxamide
CID 2811694
4-fluoro-2-methyl-N-quinolin-5-ylbenzamide
CID 115745134
2-amino-3-fluoro-N-(4-fluoro-2-methylphenyl)pyridine-4-carboxamide
CID 105384562
N-(4-fluoro-2-methylphenyl)-2-methylsulfanylpyridine-3-carboxamide
CID 8866395
N-(2-bromo-5-methylphenyl)quinoline-4-carboxamide
CID 82712316
3-fluoro-N-(4-fluoro-2-methylphenyl)-2-hydrazinylpyridine-4-carboxamide
CID 105387986
methyl 2,4-difluoro-5-(quinoline-4-carbonylamino)benzoate
CID 78845060
N-(2-amino-4-hydroxyphenyl)quinoline-4-carboxamide
CID 107697606
N-(4-fluoro-2-methylphenyl)-2-iodobenzamide
CID 7924517
2-(ethylamino)-3-fluoro-N-(4-fluoro-2-methylphenyl)pyridine-4-carboxamide
CID 105384563
2-chloro-4-fluoro-N-(4-fluoro-2-methylphenyl)benzamide
CID 6468797

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methylphenyl)quinoline-4-carboxamide?
The IUPAC name of N-(4-fluoro-2-methylphenyl)quinoline-4-carboxamide (CID 78814142) is N-(4-fluoro-2-methylphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-(4-fluoro-2-methylphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-(4-fluoro-2-methylphenyl)quinoline-4-carboxamide is Cc1cc(F)ccc1NC(=O)c1ccnc2ccccc12.
What is the InChIKey of N-(4-fluoro-2-methylphenyl)quinoline-4-carboxamide?
The InChIKey is UESSUHDALVLBDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O/c1-11-10-12(18)6-7-15(11)20-17(21)14-8-9-19-16-5-3-2-4-13(14)16/h2-10H,1H3,(H,20,21).
What are the key properties of N-(4-fluoro-2-methylphenyl)quinoline-4-carboxamide?
N-(4-fluoro-2-methylphenyl)quinoline-4-carboxamide has a molecular weight of 280.30 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-methylphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 78814142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).