3-(4-fluorobenzoyl)-7-methyl-1H-1,8-naphthyridin-4-one

C16H11FN2O2 — CID 20929733

IUPAC3-(4-fluorobenzoyl)-7-methyl-1H-1,8-naphthyridin-4-one
SMILESCc1ccc2c(=O)c(C(=O)c3ccc(F)cc3)c[nH]c2n1
InChIInChI=1S/C16H11FN2O2/c1-9-2-7-12-15(21)13(8-18-16(12)19-9)14(20)10-3-5-11(17)6-4-10/h2-8H,1H3,(H,18,19,21)
InChIKeyPHTNSMVMYURFLD-UHFFFAOYSA-N
MW282.27 g/mol
LogP2.60
Rot. Bonds2

About 3-(4-fluorobenzoyl)-7-methyl-1H-1,8-naphthyridin-4-one

3-(4-fluorobenzoyl)-7-methyl-1H-1,8-naphthyridin-4-one (PubChem CID 20929733) has the molecular formula C16H11FN2O2 and a molecular weight of 282.27 g/mol. Its IUPAC name is 3-(4-fluorobenzoyl)-7-methyl-1H-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name3-(4-fluorobenzoyl)-7-methyl-1H-1,8-naphthyridin-4-one
PubChem CID20929733
Molecular FormulaC16H11FN2O2
Molecular Weight282.27 g/mol
Exact Mass282.08
IUPAC Name3-(4-fluorobenzoyl)-7-methyl-1H-1,8-naphthyridin-4-one
SMILESCc1ccc2c(=O)c(C(=O)c3ccc(F)cc3)c[nH]c2n1
InChIInChI=1S/C16H11FN2O2/c1-9-2-7-12-15(21)13(8-18-16(12)19-9)14(20)10-3-5-11(17)6-4-10/h2-8H,1H3,(H,18,19,21)
InChIKeyPHTNSMVMYURFLD-UHFFFAOYSA-N
XLogP2.60
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorobenzoyl)-7-methyl-1H-1,8-naphthyridin-4-one?
The IUPAC name of 3-(4-fluorobenzoyl)-7-methyl-1H-1,8-naphthyridin-4-one (CID 20929733) is 3-(4-fluorobenzoyl)-7-methyl-1H-1,8-naphthyridin-4-one.
What is the SMILES notation for 3-(4-fluorobenzoyl)-7-methyl-1H-1,8-naphthyridin-4-one?
The canonical SMILES for 3-(4-fluorobenzoyl)-7-methyl-1H-1,8-naphthyridin-4-one is Cc1ccc2c(=O)c(C(=O)c3ccc(F)cc3)c[nH]c2n1.
What is the InChIKey of 3-(4-fluorobenzoyl)-7-methyl-1H-1,8-naphthyridin-4-one?
The InChIKey is PHTNSMVMYURFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN2O2/c1-9-2-7-12-15(21)13(8-18-16(12)19-9)14(20)10-3-5-11(17)6-4-10/h2-8H,1H3,(H,18,19,21).
What are the key properties of 3-(4-fluorobenzoyl)-7-methyl-1H-1,8-naphthyridin-4-one?
3-(4-fluorobenzoyl)-7-methyl-1H-1,8-naphthyridin-4-one has a molecular weight of 282.27 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorobenzoyl)-7-methyl-1H-1,8-naphthyridin-4-one is sourced from PubChem (CID 20929733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).