7-fluoro-2-pyridin-2-yl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide

C21H15FN4O — CID 39045993

IUPAC7-fluoro-2-pyridin-2-yl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
SMILESO=C(NCc1ccncc1)c1cc(-c2ccccn2)nc2cc(F)ccc12
InChIInChI=1S/C21H15FN4O/c22-15-4-5-16-17(21(27)25-13-14-6-9-23-10-7-14)12-20(26-19(16)11-15)18-3-1-2-8-24-18/h1-12H,13H2,(H,25,27)
InChIKeyJGXGPCWBJYLZHN-UHFFFAOYSA-N
MW358.38 g/mol
LogP3.76
Rot. Bonds4

About 7-fluoro-2-pyridin-2-yl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide

7-fluoro-2-pyridin-2-yl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide (PubChem CID 39045993) has the molecular formula C21H15FN4O and a molecular weight of 358.38 g/mol. Its IUPAC name is 7-fluoro-2-pyridin-2-yl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name7-fluoro-2-pyridin-2-yl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
PubChem CID39045993
Molecular FormulaC21H15FN4O
Molecular Weight358.38 g/mol
Exact Mass358.12
IUPAC Name7-fluoro-2-pyridin-2-yl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
SMILESO=C(NCc1ccncc1)c1cc(-c2ccccn2)nc2cc(F)ccc12
InChIInChI=1S/C21H15FN4O/c22-15-4-5-16-17(21(27)25-13-14-6-9-23-10-7-14)12-20(26-19(16)11-15)18-3-1-2-8-24-18/h1-12H,13H2,(H,25,27)
InChIKeyJGXGPCWBJYLZHN-UHFFFAOYSA-N
XLogP3.76
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.38
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-fluoro-N-(2-methylpropyl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 39349561
N-benzyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 757748
N-ethyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 17473754
N-[(2-chlorophenyl)methyl]-2-pyridin-2-ylquinoline-4-carboxamide
CID 3611934
N-(2,5-difluorophenyl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 50798209
2-pyridin-3-yl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 24538422
N-[(4-fluorophenyl)methyl]-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 4309624
N-[(4-hydroxyphenyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 46539313
2-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 2666564
3-(7-fluoroquinolin-4-yl)oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 155778961
methyl 2-(4-fluorophenoxy)-3-[(2-pyridin-2-ylquinoline-4-carbonyl)amino]propanoate
CID 166187473
2-cyclopropyl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 42537662

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-pyridin-2-yl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide?
The IUPAC name of 7-fluoro-2-pyridin-2-yl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide (CID 39045993) is 7-fluoro-2-pyridin-2-yl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide.
What is the SMILES notation for 7-fluoro-2-pyridin-2-yl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide?
The canonical SMILES for 7-fluoro-2-pyridin-2-yl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide is O=C(NCc1ccncc1)c1cc(-c2ccccn2)nc2cc(F)ccc12.
What is the InChIKey of 7-fluoro-2-pyridin-2-yl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide?
The InChIKey is JGXGPCWBJYLZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN4O/c22-15-4-5-16-17(21(27)25-13-14-6-9-23-10-7-14)12-20(26-19(16)11-15)18-3-1-2-8-24-18/h1-12H,13H2,(H,25,27).
What are the key properties of 7-fluoro-2-pyridin-2-yl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide?
7-fluoro-2-pyridin-2-yl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide has a molecular weight of 358.38 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-pyridin-2-yl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide is sourced from PubChem (CID 39045993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).