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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Related Compounds

6-fluoro-1-[(4-methylphenyl)methyl]-4-oxoquinoline-3-carbohydrazide
CID 97032790
6-fluoro-N-(4-fluorophenyl)-1-methyl-4-oxoquinoline-3-carboxamide
CID 30133220
6-chloro-1-[(4-fluorophenyl)methyl]-3-(pyridine-4-carbonyl)quinolin-4-one
CID 52998470
1-ethyl-6-fluoro-N-(3-methyl-2-pyridinyl)-4-oxoquinoline-3-carboxamide
CID 39851051
6-amino-1-[(4-fluorophenyl)methyl]-4-oxoquinoline-3-carboxylic acid
CID 118706084
6-bromo-1-[(4-fluorophenyl)methyl]-4-oxoquinoline-3-carboxylic acid
CID 94674258
2-bromo-5-fluoro-N-pyridin-3-ylbenzamide
CID 24699857
ethyl 4-[(1-ethyl-6-fluoro-4-oxoquinoline-3-carbonyl)amino]benzoate
CID 39850939
1-[(4-fluorophenyl)methyl]-6-(3-methoxy-3-oxopropanoyl)-4-oxoquinoline-3-carboxylic acid;yttrium
CID 91865856
4-(aminomethyl)-2-fluoro-N-pyridin-3-ylbenzamide
CID 70655233
5-fluoro-2-methoxy-N-pyridin-3-ylbenzamide
CID 34947016
1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-pyridin-3-ylindole-3-carboxamide
CID 71656354

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).