1-[(3-fluorophenyl)methyl]-7-methyl-3-(4-methylbenzoyl)-1,8-naphthyridin-4-one

C24H19FN2O2 — CID 15988524

IUPAC1-[(3-fluorophenyl)methyl]-7-methyl-3-(4-methylbenzoyl)-1,8-naphthyridin-4-one
SMILESCc1ccc(C(=O)c2cn(Cc3cccc(F)c3)c3nc(C)ccc3c2=O)cc1
InChIInChI=1S/C24H19FN2O2/c1-15-6-9-18(10-7-15)22(28)21-14-27(13-17-4-3-5-19(25)12-17)24-20(23(21)29)11-8-16(2)26-24/h3-12,14H,13H2,1-2H3
InChIKeyFXWXTEYTBYYZLD-UHFFFAOYSA-N
MW386.43 g/mol
LogP4.43
Rot. Bonds4

About 1-[(3-fluorophenyl)methyl]-7-methyl-3-(4-methylbenzoyl)-1,8-naphthyridin-4-one

1-[(3-fluorophenyl)methyl]-7-methyl-3-(4-methylbenzoyl)-1,8-naphthyridin-4-one (PubChem CID 15988524) has the molecular formula C24H19FN2O2 and a molecular weight of 386.43 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-7-methyl-3-(4-methylbenzoyl)-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-7-methyl-3-(4-methylbenzoyl)-1,8-naphthyridin-4-one
PubChem CID15988524
Molecular FormulaC24H19FN2O2
Molecular Weight386.43 g/mol
Exact Mass386.14
IUPAC Name1-[(3-fluorophenyl)methyl]-7-methyl-3-(4-methylbenzoyl)-1,8-naphthyridin-4-one
SMILESCc1ccc(C(=O)c2cn(Cc3cccc(F)c3)c3nc(C)ccc3c2=O)cc1
InChIInChI=1S/C24H19FN2O2/c1-15-6-9-18(10-7-15)22(28)21-14-27(13-17-4-3-5-19(25)12-17)24-20(23(21)29)11-8-16(2)26-24/h3-12,14H,13H2,1-2H3
InChIKeyFXWXTEYTBYYZLD-UHFFFAOYSA-N
XLogP4.43
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-7-methyl-3-(4-methylbenzoyl)-1,8-naphthyridin-4-one?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-7-methyl-3-(4-methylbenzoyl)-1,8-naphthyridin-4-one (CID 15988524) is 1-[(3-fluorophenyl)methyl]-7-methyl-3-(4-methylbenzoyl)-1,8-naphthyridin-4-one.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-7-methyl-3-(4-methylbenzoyl)-1,8-naphthyridin-4-one?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-7-methyl-3-(4-methylbenzoyl)-1,8-naphthyridin-4-one is Cc1ccc(C(=O)c2cn(Cc3cccc(F)c3)c3nc(C)ccc3c2=O)cc1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-7-methyl-3-(4-methylbenzoyl)-1,8-naphthyridin-4-one?
The InChIKey is FXWXTEYTBYYZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN2O2/c1-15-6-9-18(10-7-15)22(28)21-14-27(13-17-4-3-5-19(25)12-17)24-20(23(21)29)11-8-16(2)26-24/h3-12,14H,13H2,1-2H3.
What are the key properties of 1-[(3-fluorophenyl)methyl]-7-methyl-3-(4-methylbenzoyl)-1,8-naphthyridin-4-one?
1-[(3-fluorophenyl)methyl]-7-methyl-3-(4-methylbenzoyl)-1,8-naphthyridin-4-one has a molecular weight of 386.43 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-7-methyl-3-(4-methylbenzoyl)-1,8-naphthyridin-4-one is sourced from PubChem (CID 15988524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).