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3-(4-fluorobenzoyl)-1-[(3-methoxyphenyl)methyl]-7-methyl-1,8-naphthyridin-4-one

C24H19FN2O3 — CID 50759428

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC3-(4-fluorobenzoyl)-1-[(3-methoxyphenyl)methyl]-7-methyl-1,8-naphthyridin-4-one
SMILESCOc1cccc(Cn2cc(C(=O)c3ccc(F)cc3)c(=O)c3ccc(C)nc32)c1
InChIInChI=1S/C24H19FN2O3/c1-15-6-11-20-23(29)21(22(28)17-7-9-18(25)10-8-17)14-27(24(20)26-15)13-16-4-3-5-19(12-16)30-2/h3-12,14H,13H2,1-2H3
InChIKeyJEGDWBMNMWZFEB-UHFFFAOYSA-N
MW402.43 g/mol
LogP4.13
Rot. Bonds5

About 3-(4-fluorobenzoyl)-1-[(3-methoxyphenyl)methyl]-7-methyl-1,8-naphthyridin-4-one

3-(4-fluorobenzoyl)-1-[(3-methoxyphenyl)methyl]-7-methyl-1,8-naphthyridin-4-one (PubChem CID 50759428) has the molecular formula C24H19FN2O3 and a molecular weight of 402.43 g/mol. Its IUPAC name is 3-(4-fluorobenzoyl)-1-[(3-methoxyphenyl)methyl]-7-methyl-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name3-(4-fluorobenzoyl)-1-[(3-methoxyphenyl)methyl]-7-methyl-1,8-naphthyridin-4-one
PubChem CID50759428
Molecular FormulaC24H19FN2O3
Molecular Weight402.43 g/mol
Exact Mass402.14
IUPAC Name3-(4-fluorobenzoyl)-1-[(3-methoxyphenyl)methyl]-7-methyl-1,8-naphthyridin-4-one
SMILESCOc1cccc(Cn2cc(C(=O)c3ccc(F)cc3)c(=O)c3ccc(C)nc32)c1
InChIInChI=1S/C24H19FN2O3/c1-15-6-11-20-23(29)21(22(28)17-7-9-18(25)10-8-17)14-27(24(20)26-15)13-16-4-3-5-19(12-16)30-2/h3-12,14H,13H2,1-2H3
InChIKeyJEGDWBMNMWZFEB-UHFFFAOYSA-N
XLogP4.13
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorobenzoyl)-1-[(3-methoxyphenyl)methyl]-7-methyl-1,8-naphthyridin-4-one?
The IUPAC name of 3-(4-fluorobenzoyl)-1-[(3-methoxyphenyl)methyl]-7-methyl-1,8-naphthyridin-4-one (CID 50759428) is 3-(4-fluorobenzoyl)-1-[(3-methoxyphenyl)methyl]-7-methyl-1,8-naphthyridin-4-one.
What is the SMILES notation for 3-(4-fluorobenzoyl)-1-[(3-methoxyphenyl)methyl]-7-methyl-1,8-naphthyridin-4-one?
The canonical SMILES for 3-(4-fluorobenzoyl)-1-[(3-methoxyphenyl)methyl]-7-methyl-1,8-naphthyridin-4-one is COc1cccc(Cn2cc(C(=O)c3ccc(F)cc3)c(=O)c3ccc(C)nc32)c1.
What is the InChIKey of 3-(4-fluorobenzoyl)-1-[(3-methoxyphenyl)methyl]-7-methyl-1,8-naphthyridin-4-one?
The InChIKey is JEGDWBMNMWZFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN2O3/c1-15-6-11-20-23(29)21(22(28)17-7-9-18(25)10-8-17)14-27(24(20)26-15)13-16-4-3-5-19(12-16)30-2/h3-12,14H,13H2,1-2H3.
What are the key properties of 3-(4-fluorobenzoyl)-1-[(3-methoxyphenyl)methyl]-7-methyl-1,8-naphthyridin-4-one?
3-(4-fluorobenzoyl)-1-[(3-methoxyphenyl)methyl]-7-methyl-1,8-naphthyridin-4-one has a molecular weight of 402.43 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorobenzoyl)-1-[(3-methoxyphenyl)methyl]-7-methyl-1,8-naphthyridin-4-one is sourced from PubChem (CID 50759428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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