N-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)quinoline-2-carboxamide

C22H16FN3O — CID 51121562

IUPACN-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)quinoline-2-carboxamide
SMILESO=C(c1ccc2ccccc2n1)N(Cc1ccccn1)c1ccc(F)cc1
InChIInChI=1S/C22H16FN3O/c23-17-9-11-19(12-10-17)26(15-18-6-3-4-14-24-18)22(27)21-13-8-16-5-1-2-7-20(16)25-21/h1-14H,15H2
InChIKeyUXOXSAYEODHHTF-UHFFFAOYSA-N
MW357.39 g/mol
LogP4.62
Rot. Bonds4

About N-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)quinoline-2-carboxamide

N-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)quinoline-2-carboxamide (PubChem CID 51121562) has the molecular formula C22H16FN3O and a molecular weight of 357.39 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)quinoline-2-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)quinoline-2-carboxamide
PubChem CID51121562
Molecular FormulaC22H16FN3O
Molecular Weight357.39 g/mol
Exact Mass357.13
IUPAC NameN-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)quinoline-2-carboxamide
SMILESO=C(c1ccc2ccccc2n1)N(Cc1ccccn1)c1ccc(F)cc1
InChIInChI=1S/C22H16FN3O/c23-17-9-11-19(12-10-17)26(15-18-6-3-4-14-24-18)22(27)21-13-8-16-5-1-2-7-20(16)25-21/h1-14H,15H2
InChIKeyUXOXSAYEODHHTF-UHFFFAOYSA-N
XLogP4.62
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-phenylquinoline-2-carboxamide
CID 2449862
3-bromo-N-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
CID 55889351
N-(pyridin-2-ylmethyl)quinoline-2-carboxamide
CID 712665
N-phenyl-N-(pyridin-2-ylmethyl)benzamide
CID 12559708
4,4-difluoro-N-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide
CID 122156566
4-fluoro-N-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)benzamide
CID 108755912
N-(4-fluorophenyl)-2-iodo-5-nitro-N-(pyridin-2-ylmethyl)benzamide
CID 55889095
N-(4-chlorophenyl)-2-(4-fluorophenoxy)-N-(pyridin-2-ylmethyl)acetamide
CID 55889469
N-(1H-imidazol-2-ylmethyl)-N-methylquinoline-2-carboxamide
CID 63930575
N-(4-chlorophenyl)-3-(dimethylsulfamoyl)-4-fluoro-N-(pyridin-2-ylmethyl)benzamide
CID 55889987
N-(1,3-benzothiazol-2-yl)-3-fluoro-N-(pyridin-2-ylmethyl)benzamide
CID 18576650
2-[(3R)-1,1-dioxothiolan-3-yl]-N-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 96543729

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)quinoline-2-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)quinoline-2-carboxamide (CID 51121562) is N-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)quinoline-2-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)quinoline-2-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)quinoline-2-carboxamide is O=C(c1ccc2ccccc2n1)N(Cc1ccccn1)c1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)quinoline-2-carboxamide?
The InChIKey is UXOXSAYEODHHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN3O/c23-17-9-11-19(12-10-17)26(15-18-6-3-4-14-24-18)22(27)21-13-8-16-5-1-2-7-20(16)25-21/h1-14H,15H2.
What are the key properties of N-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)quinoline-2-carboxamide?
N-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)quinoline-2-carboxamide has a molecular weight of 357.39 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)quinoline-2-carboxamide is sourced from PubChem (CID 51121562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).