N-[(4-fluorophenyl)methyl]quinoline-6-carboxamide

C17H13FN2O — CID 59192191

IUPACN-[(4-fluorophenyl)methyl]quinoline-6-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1ccc2ncccc2c1
InChIInChI=1S/C17H13FN2O/c18-15-6-3-12(4-7-15)11-20-17(21)14-5-8-16-13(10-14)2-1-9-19-16/h1-10H,11H2,(H,20,21)
InChIKeyRKPGUZNMHDFBQF-UHFFFAOYSA-N
MW280.30 g/mol
LogP3.30
Rot. Bonds3

About N-[(4-fluorophenyl)methyl]quinoline-6-carboxamide

N-[(4-fluorophenyl)methyl]quinoline-6-carboxamide (PubChem CID 59192191) has the molecular formula C17H13FN2O and a molecular weight of 280.30 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]quinoline-6-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]quinoline-6-carboxamide
PubChem CID59192191
Molecular FormulaC17H13FN2O
Molecular Weight280.30 g/mol
Exact Mass280.10
IUPAC NameN-[(4-fluorophenyl)methyl]quinoline-6-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1ccc2ncccc2c1
InChIInChI=1S/C17H13FN2O/c18-15-6-3-12(4-7-15)11-20-17(21)14-5-8-16-13(10-14)2-1-9-19-16/h1-10H,11H2,(H,20,21)
InChIKeyRKPGUZNMHDFBQF-UHFFFAOYSA-N
XLogP3.30
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(trifluoromethyl)phenyl]methyl]quinoline-6-carboxamide
CID 71822071
N-[[4-(phenoxymethyl)phenyl]methyl]quinoline-6-carboxamide
CID 59192187
N-[[4-(benzenesulfonyl)phenyl]methyl]quinoline-6-carboxamide
CID 56943128
N-[(4-butoxyphenyl)methyl]quinoline-6-carboxamide
CID 59192120
N-[(4-phenylmethoxyphenyl)methyl]quinoline-6-carboxamide
CID 58387946
N-[(3-chlorophenyl)methyl]quinoline-6-carboxamide
CID 23653724
N-[[3-(trifluoromethyl)phenyl]methyl]quinoline-6-carboxamide
CID 59192094
N-[(2-fluoro-4-hydroxyphenyl)methyl]quinoline-6-carboxamide
CID 59192233
N-[(3-ethynylphenyl)methyl]quinoline-6-carboxamide
CID 59192286
N-[[3-(2-methylpropyl)phenyl]methyl]quinoline-6-carboxamide
CID 58387959
N-[3-(4-fluorophenoxy)-2-hydroxypropyl]quinoline-6-carboxamide
CID 110911243
N-[(2,2-dimethyl-1,3-benzodioxol-5-yl)methyl]quinoline-6-carboxamide
CID 143817195

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]quinoline-6-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]quinoline-6-carboxamide (CID 59192191) is N-[(4-fluorophenyl)methyl]quinoline-6-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]quinoline-6-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]quinoline-6-carboxamide is O=C(NCc1ccc(F)cc1)c1ccc2ncccc2c1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]quinoline-6-carboxamide?
The InChIKey is RKPGUZNMHDFBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O/c18-15-6-3-12(4-7-15)11-20-17(21)14-5-8-16-13(10-14)2-1-9-19-16/h1-10H,11H2,(H,20,21).
What are the key properties of N-[(4-fluorophenyl)methyl]quinoline-6-carboxamide?
N-[(4-fluorophenyl)methyl]quinoline-6-carboxamide has a molecular weight of 280.30 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]quinoline-6-carboxamide is sourced from PubChem (CID 59192191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).