1-[7-[(4-fluorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone

C17H13FN2O2 — CID 90444036

IUPAC1-[7-[(4-fluorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone
SMILESCC(=O)c1cnc2cc(OCc3ccc(F)cc3)cnc2c1
InChIInChI=1S/C17H13FN2O2/c1-11(21)13-6-16-17(19-8-13)7-15(9-20-16)22-10-12-2-4-14(18)5-3-12/h2-9H,10H2,1H3
InChIKeyOXVJVHPNURODQF-UHFFFAOYSA-N
MW296.30 g/mol
LogP3.55
Rot. Bonds4

About 1-[7-[(4-fluorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone

1-[7-[(4-fluorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone (PubChem CID 90444036) has the molecular formula C17H13FN2O2 and a molecular weight of 296.30 g/mol. Its IUPAC name is 1-[7-[(4-fluorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone.

Molecular Properties

Compound Name1-[7-[(4-fluorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone
PubChem CID90444036
Molecular FormulaC17H13FN2O2
Molecular Weight296.30 g/mol
Exact Mass296.10
IUPAC Name1-[7-[(4-fluorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone
SMILESCC(=O)c1cnc2cc(OCc3ccc(F)cc3)cnc2c1
InChIInChI=1S/C17H13FN2O2/c1-11(21)13-6-16-17(19-8-13)7-15(9-20-16)22-10-12-2-4-14(18)5-3-12/h2-9H,10H2,1H3
InChIKeyOXVJVHPNURODQF-UHFFFAOYSA-N
XLogP3.55
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[7-[(3-chlorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone
CID 90444039
1-[3-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]ethanone
CID 112689439
1-[4-[[4-[(4-acetylphenoxy)methyl]phenyl]methoxy]phenyl]ethanone
CID 10619405
2-[7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]acetamide
CID 86296849
methyl 6-[(4-fluorophenyl)methoxy]pyridine-3-carboxylate
CID 58368225
[7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]methanol
CID 86301659
1-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]ethanone
CID 90444035
1-[4-[(4-fluorophenyl)methoxy]-3-nitrophenyl]ethanone
CID 2737280
3-[(4-fluorophenyl)methoxy]-5-hydroxy-N-methylbenzamide
CID 144990998
3-[(4-fluorophenyl)methoxy]benzamide
CID 18354605
methyl 3-phenylmethoxyquinoline-7-carboxylate
CID 166128416
2-[4-[(4-fluorophenyl)methoxy]phenyl]-2-oxoacetaldehyde
CID 13340101

Frequently Asked Questions

What is the IUPAC name of 1-[7-[(4-fluorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone?
The IUPAC name of 1-[7-[(4-fluorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone (CID 90444036) is 1-[7-[(4-fluorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone.
What is the SMILES notation for 1-[7-[(4-fluorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone?
The canonical SMILES for 1-[7-[(4-fluorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone is CC(=O)c1cnc2cc(OCc3ccc(F)cc3)cnc2c1.
What is the InChIKey of 1-[7-[(4-fluorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone?
The InChIKey is OXVJVHPNURODQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O2/c1-11(21)13-6-16-17(19-8-13)7-15(9-20-16)22-10-12-2-4-14(18)5-3-12/h2-9H,10H2,1H3.
What are the key properties of 1-[7-[(4-fluorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone?
1-[7-[(4-fluorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone has a molecular weight of 296.30 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-[(4-fluorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone is sourced from PubChem (CID 90444036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).