1-(4-fluorophenyl)-3-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)butan-2-one

C18H19FN2O — CID 161407586

IUPAC1-(4-fluorophenyl)-3-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)butan-2-one
SMILESCC(C(=O)Cc1ccc(F)cc1)c1ccc2c(n1)CCCN2
InChIInChI=1S/C18H19FN2O/c1-12(18(22)11-13-4-6-14(19)7-5-13)15-8-9-16-17(21-15)3-2-10-20-16/h4-9,12,20H,2-3,10-11H2,1H3
InChIKeyIJIFCDXHKVVKPP-UHFFFAOYSA-N
MW298.36 g/mol
LogP3.49
Rot. Bonds4

About 1-(4-fluorophenyl)-3-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)butan-2-one

1-(4-fluorophenyl)-3-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)butan-2-one (PubChem CID 161407586) has the molecular formula C18H19FN2O and a molecular weight of 298.36 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)butan-2-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)butan-2-one
PubChem CID161407586
Molecular FormulaC18H19FN2O
Molecular Weight298.36 g/mol
Exact Mass298.15
IUPAC Name1-(4-fluorophenyl)-3-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)butan-2-one
SMILESCC(C(=O)Cc1ccc(F)cc1)c1ccc2c(n1)CCCN2
InChIInChI=1S/C18H19FN2O/c1-12(18(22)11-13-4-6-14(19)7-5-13)15-8-9-16-17(21-15)3-2-10-20-16/h4-9,12,20H,2-3,10-11H2,1H3
InChIKeyIJIFCDXHKVVKPP-UHFFFAOYSA-N
XLogP3.49
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-fluorophenyl)-3-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)butan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)butan-2-one?
The IUPAC name of 1-(4-fluorophenyl)-3-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)butan-2-one (CID 161407586) is 1-(4-fluorophenyl)-3-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)butan-2-one.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)butan-2-one?
The canonical SMILES for 1-(4-fluorophenyl)-3-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)butan-2-one is CC(C(=O)Cc1ccc(F)cc1)c1ccc2c(n1)CCCN2.
What is the InChIKey of 1-(4-fluorophenyl)-3-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)butan-2-one?
The InChIKey is IJIFCDXHKVVKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O/c1-12(18(22)11-13-4-6-14(19)7-5-13)15-8-9-16-17(21-15)3-2-10-20-16/h4-9,12,20H,2-3,10-11H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-3-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)butan-2-one?
1-(4-fluorophenyl)-3-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)butan-2-one has a molecular weight of 298.36 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)butan-2-one is sourced from PubChem (CID 161407586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).