3-(azepane-1-carbonyl)-1-[(4-fluorophenyl)methyl]-1,8-naphthyridin-2-one

C22H22FN3O2 — CID 7620629

IUPAC3-(azepane-1-carbonyl)-1-[(4-fluorophenyl)methyl]-1,8-naphthyridin-2-one
SMILESO=C(c1cc2cccnc2n(Cc2ccc(F)cc2)c1=O)N1CCCCCC1
InChIInChI=1S/C22H22FN3O2/c23-18-9-7-16(8-10-18)15-26-20-17(6-5-11-24-20)14-19(22(26)28)21(27)25-12-3-1-2-4-13-25/h5-11,14H,1-4,12-13,15H2
InChIKeyUBOPGYMNMIHVMC-UHFFFAOYSA-N
MW379.44 g/mol
LogP3.60
Rot. Bonds3

About 3-(azepane-1-carbonyl)-1-[(4-fluorophenyl)methyl]-1,8-naphthyridin-2-one

3-(azepane-1-carbonyl)-1-[(4-fluorophenyl)methyl]-1,8-naphthyridin-2-one (PubChem CID 7620629) has the molecular formula C22H22FN3O2 and a molecular weight of 379.44 g/mol. Its IUPAC name is 3-(azepane-1-carbonyl)-1-[(4-fluorophenyl)methyl]-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name3-(azepane-1-carbonyl)-1-[(4-fluorophenyl)methyl]-1,8-naphthyridin-2-one
PubChem CID7620629
Molecular FormulaC22H22FN3O2
Molecular Weight379.44 g/mol
Exact Mass379.17
IUPAC Name3-(azepane-1-carbonyl)-1-[(4-fluorophenyl)methyl]-1,8-naphthyridin-2-one
SMILESO=C(c1cc2cccnc2n(Cc2ccc(F)cc2)c1=O)N1CCCCCC1
InChIInChI=1S/C22H22FN3O2/c23-18-9-7-16(8-10-18)15-26-20-17(6-5-11-24-20)14-19(22(26)28)21(27)25-12-3-1-2-4-13-25/h5-11,14H,1-4,12-13,15H2
InChIKeyUBOPGYMNMIHVMC-UHFFFAOYSA-N
XLogP3.60
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(azepane-1-carbonyl)-1-[(4-methylphenyl)methyl]-1,8-naphthyridin-2-one
CID 7620362
methyl 1-[1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carbonyl]piperidine-4-carboxylate
CID 43996059
3-[(2R)-2-ethylpiperidine-1-carbonyl]-1-[(4-fluorophenyl)methyl]-1,8-naphthyridin-2-one
CID 7620640
3-(2,3-dihydroindole-1-carbonyl)-1-[(4-fluorophenyl)methyl]-1,8-naphthyridin-2-one
CID 7620765
1-[(4-methylphenyl)methyl]-3-[(3R)-3-methylpiperidine-1-carbonyl]-1,8-naphthyridin-2-one
CID 7620369
11-[1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carbonyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 43996063
1-[(4-chlorophenyl)methyl]-3-(4-ethylpiperazin-4-ium-1-carbonyl)-1,8-naphthyridin-2-one
CID 7621132
3-(4-ethylpiperazin-4-ium-1-carbonyl)-1-[(4-methylphenyl)methyl]-1,8-naphthyridin-2-one
CID 7620392
methyl 1-[1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carbonyl]piperidine-4-carboxylate
CID 7620374
methyl 1-[1-[(4-chlorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carbonyl]piperidine-4-carboxylate
CID 43996244
N-tert-butyl-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620678
1-[(4-fluorophenyl)methyl]-N-[(1S,2S)-2-methylcyclohexyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620734

Frequently Asked Questions

What is the IUPAC name of 3-(azepane-1-carbonyl)-1-[(4-fluorophenyl)methyl]-1,8-naphthyridin-2-one?
The IUPAC name of 3-(azepane-1-carbonyl)-1-[(4-fluorophenyl)methyl]-1,8-naphthyridin-2-one (CID 7620629) is 3-(azepane-1-carbonyl)-1-[(4-fluorophenyl)methyl]-1,8-naphthyridin-2-one.
What is the SMILES notation for 3-(azepane-1-carbonyl)-1-[(4-fluorophenyl)methyl]-1,8-naphthyridin-2-one?
The canonical SMILES for 3-(azepane-1-carbonyl)-1-[(4-fluorophenyl)methyl]-1,8-naphthyridin-2-one is O=C(c1cc2cccnc2n(Cc2ccc(F)cc2)c1=O)N1CCCCCC1.
What is the InChIKey of 3-(azepane-1-carbonyl)-1-[(4-fluorophenyl)methyl]-1,8-naphthyridin-2-one?
The InChIKey is UBOPGYMNMIHVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O2/c23-18-9-7-16(8-10-18)15-26-20-17(6-5-11-24-20)14-19(22(26)28)21(27)25-12-3-1-2-4-13-25/h5-11,14H,1-4,12-13,15H2.
What are the key properties of 3-(azepane-1-carbonyl)-1-[(4-fluorophenyl)methyl]-1,8-naphthyridin-2-one?
3-(azepane-1-carbonyl)-1-[(4-fluorophenyl)methyl]-1,8-naphthyridin-2-one has a molecular weight of 379.44 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azepane-1-carbonyl)-1-[(4-fluorophenyl)methyl]-1,8-naphthyridin-2-one is sourced from PubChem (CID 7620629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).