6-[(3-fluorophenyl)methyl]-3-(3-phenylprop-1-ynyl)-1,6-naphthyridin-7-one

C24H17FN2O — CID 22268234

IUPAC6-[(3-fluorophenyl)methyl]-3-(3-phenylprop-1-ynyl)-1,6-naphthyridin-7-one
SMILESO=c1cc2ncc(C#CCc3ccccc3)cc2cn1Cc1cccc(F)c1
InChIInChI=1S/C24H17FN2O/c25-22-11-5-10-20(13-22)16-27-17-21-12-19(15-26-23(21)14-24(27)28)9-4-8-18-6-2-1-3-7-18/h1-3,5-7,10-15,17H,8,16H2
InChIKeyGDBZYINOGKEHKY-UHFFFAOYSA-N
MW368.41 g/mol
LogP4.18
Rot. Bonds3

About 6-[(3-fluorophenyl)methyl]-3-(3-phenylprop-1-ynyl)-1,6-naphthyridin-7-one

6-[(3-fluorophenyl)methyl]-3-(3-phenylprop-1-ynyl)-1,6-naphthyridin-7-one (PubChem CID 22268234) has the molecular formula C24H17FN2O and a molecular weight of 368.41 g/mol. Its IUPAC name is 6-[(3-fluorophenyl)methyl]-3-(3-phenylprop-1-ynyl)-1,6-naphthyridin-7-one.

Molecular Properties

Compound Name6-[(3-fluorophenyl)methyl]-3-(3-phenylprop-1-ynyl)-1,6-naphthyridin-7-one
PubChem CID22268234
Molecular FormulaC24H17FN2O
Molecular Weight368.41 g/mol
Exact Mass368.13
IUPAC Name6-[(3-fluorophenyl)methyl]-3-(3-phenylprop-1-ynyl)-1,6-naphthyridin-7-one
SMILESO=c1cc2ncc(C#CCc3ccccc3)cc2cn1Cc1cccc(F)c1
InChIInChI=1S/C24H17FN2O/c25-22-11-5-10-20(13-22)16-27-17-21-12-19(15-26-23(21)14-24(27)28)9-4-8-18-6-2-1-3-7-18/h1-3,5-7,10-15,17H,8,16H2
InChIKeyGDBZYINOGKEHKY-UHFFFAOYSA-N
XLogP4.18
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-fluorophenyl)methyl]-3-(3-phenylprop-1-ynyl)-1,6-naphthyridin-7-one?
The IUPAC name of 6-[(3-fluorophenyl)methyl]-3-(3-phenylprop-1-ynyl)-1,6-naphthyridin-7-one (CID 22268234) is 6-[(3-fluorophenyl)methyl]-3-(3-phenylprop-1-ynyl)-1,6-naphthyridin-7-one.
What is the SMILES notation for 6-[(3-fluorophenyl)methyl]-3-(3-phenylprop-1-ynyl)-1,6-naphthyridin-7-one?
The canonical SMILES for 6-[(3-fluorophenyl)methyl]-3-(3-phenylprop-1-ynyl)-1,6-naphthyridin-7-one is O=c1cc2ncc(C#CCc3ccccc3)cc2cn1Cc1cccc(F)c1.
What is the InChIKey of 6-[(3-fluorophenyl)methyl]-3-(3-phenylprop-1-ynyl)-1,6-naphthyridin-7-one?
The InChIKey is GDBZYINOGKEHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17FN2O/c25-22-11-5-10-20(13-22)16-27-17-21-12-19(15-26-23(21)14-24(27)28)9-4-8-18-6-2-1-3-7-18/h1-3,5-7,10-15,17H,8,16H2.
What are the key properties of 6-[(3-fluorophenyl)methyl]-3-(3-phenylprop-1-ynyl)-1,6-naphthyridin-7-one?
6-[(3-fluorophenyl)methyl]-3-(3-phenylprop-1-ynyl)-1,6-naphthyridin-7-one has a molecular weight of 368.41 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-fluorophenyl)methyl]-3-(3-phenylprop-1-ynyl)-1,6-naphthyridin-7-one is sourced from PubChem (CID 22268234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).