6-fluoro-1-[(4-fluorophenyl)methyl]-4-oxo-N-pyridin-3-ylquinoline-3-carboxamide

C22H15F2N3O2 — CID 110188945

IUPAC6-fluoro-1-[(4-fluorophenyl)methyl]-4-oxo-N-pyridin-3-ylquinoline-3-carboxamide
SMILESO=C(Nc1cccnc1)c1cn(Cc2ccc(F)cc2)c2ccc(F)cc2c1=O
InChIInChI=1S/C22H15F2N3O2/c23-15-5-3-14(4-6-15)12-27-13-19(22(29)26-17-2-1-9-25-11-17)21(28)18-10-16(24)7-8-20(18)27/h1-11,13H,12H2,(H,26,29)
InChIKeyKPGNSCQVDSMYPW-UHFFFAOYSA-N
MW391.38 g/mol
LogP3.98
Rot. Bonds4

About 6-fluoro-1-[(4-fluorophenyl)methyl]-4-oxo-N-pyridin-3-ylquinoline-3-carboxamide

6-fluoro-1-[(4-fluorophenyl)methyl]-4-oxo-N-pyridin-3-ylquinoline-3-carboxamide (PubChem CID 110188945) has the molecular formula C22H15F2N3O2 and a molecular weight of 391.38 g/mol. Its IUPAC name is 6-fluoro-1-[(4-fluorophenyl)methyl]-4-oxo-N-pyridin-3-ylquinoline-3-carboxamide.

Molecular Properties

Compound Name6-fluoro-1-[(4-fluorophenyl)methyl]-4-oxo-N-pyridin-3-ylquinoline-3-carboxamide
PubChem CID110188945
Molecular FormulaC22H15F2N3O2
Molecular Weight391.38 g/mol
Exact Mass391.11
IUPAC Name6-fluoro-1-[(4-fluorophenyl)methyl]-4-oxo-N-pyridin-3-ylquinoline-3-carboxamide
SMILESO=C(Nc1cccnc1)c1cn(Cc2ccc(F)cc2)c2ccc(F)cc2c1=O
InChIInChI=1S/C22H15F2N3O2/c23-15-5-3-14(4-6-15)12-27-13-19(22(29)26-17-2-1-9-25-11-17)21(28)18-10-16(24)7-8-20(18)27/h1-11,13H,12H2,(H,26,29)
InChIKeyKPGNSCQVDSMYPW-UHFFFAOYSA-N
XLogP3.98
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.38
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-[(4-fluorophenyl)methyl]-4-oxo-N-pyridin-3-ylquinoline-3-carboxamide?
The IUPAC name of 6-fluoro-1-[(4-fluorophenyl)methyl]-4-oxo-N-pyridin-3-ylquinoline-3-carboxamide (CID 110188945) is 6-fluoro-1-[(4-fluorophenyl)methyl]-4-oxo-N-pyridin-3-ylquinoline-3-carboxamide.
What is the SMILES notation for 6-fluoro-1-[(4-fluorophenyl)methyl]-4-oxo-N-pyridin-3-ylquinoline-3-carboxamide?
The canonical SMILES for 6-fluoro-1-[(4-fluorophenyl)methyl]-4-oxo-N-pyridin-3-ylquinoline-3-carboxamide is O=C(Nc1cccnc1)c1cn(Cc2ccc(F)cc2)c2ccc(F)cc2c1=O.
What is the InChIKey of 6-fluoro-1-[(4-fluorophenyl)methyl]-4-oxo-N-pyridin-3-ylquinoline-3-carboxamide?
The InChIKey is KPGNSCQVDSMYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F2N3O2/c23-15-5-3-14(4-6-15)12-27-13-19(22(29)26-17-2-1-9-25-11-17)21(28)18-10-16(24)7-8-20(18)27/h1-11,13H,12H2,(H,26,29).
What are the key properties of 6-fluoro-1-[(4-fluorophenyl)methyl]-4-oxo-N-pyridin-3-ylquinoline-3-carboxamide?
6-fluoro-1-[(4-fluorophenyl)methyl]-4-oxo-N-pyridin-3-ylquinoline-3-carboxamide has a molecular weight of 391.38 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-[(4-fluorophenyl)methyl]-4-oxo-N-pyridin-3-ylquinoline-3-carboxamide is sourced from PubChem (CID 110188945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).