2-[3-(4-fluorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(furan-2-ylmethyl)acetamide

C23H18FN3O4 — CID 20929691

IUPAC2-[3-(4-fluorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(furan-2-ylmethyl)acetamide
SMILESCc1ccc2c(=O)c(C(=O)c3ccc(F)cc3)cn(CC(=O)NCc3ccco3)c2n1
InChIInChI=1S/C23H18FN3O4/c1-14-4-9-18-22(30)19(21(29)15-5-7-16(24)8-6-15)12-27(23(18)26-14)13-20(28)25-11-17-3-2-10-31-17/h2-10,12H,11,13H2,1H3,(H,25,28)
InChIKeyRVZFEWKYABDLEY-UHFFFAOYSA-N
MW419.41 g/mol
LogP2.98
Rot. Bonds6

About 2-[3-(4-fluorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(furan-2-ylmethyl)acetamide

2-[3-(4-fluorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 20929691) has the molecular formula C23H18FN3O4 and a molecular weight of 419.41 g/mol. Its IUPAC name is 2-[3-(4-fluorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[3-(4-fluorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(furan-2-ylmethyl)acetamide
PubChem CID20929691
Molecular FormulaC23H18FN3O4
Molecular Weight419.41 g/mol
Exact Mass419.13
IUPAC Name2-[3-(4-fluorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(furan-2-ylmethyl)acetamide
SMILESCc1ccc2c(=O)c(C(=O)c3ccc(F)cc3)cn(CC(=O)NCc3ccco3)c2n1
InChIInChI=1S/C23H18FN3O4/c1-14-4-9-18-22(30)19(21(29)15-5-7-16(24)8-6-15)12-27(23(18)26-14)13-20(28)25-11-17-3-2-10-31-17/h2-10,12H,11,13H2,1H3,(H,25,28)
InChIKeyRVZFEWKYABDLEY-UHFFFAOYSA-N
XLogP2.98
TPSA94.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.41
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[3-(4-fluorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(furan-2-ylmethyl)acetamide (CID 20929691) is 2-[3-(4-fluorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[3-(4-fluorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[3-(4-fluorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(furan-2-ylmethyl)acetamide is Cc1ccc2c(=O)c(C(=O)c3ccc(F)cc3)cn(CC(=O)NCc3ccco3)c2n1.
What is the InChIKey of 2-[3-(4-fluorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is RVZFEWKYABDLEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O4/c1-14-4-9-18-22(30)19(21(29)15-5-7-16(24)8-6-15)12-27(23(18)26-14)13-20(28)25-11-17-3-2-10-31-17/h2-10,12H,11,13H2,1H3,(H,25,28).
What are the key properties of 2-[3-(4-fluorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(furan-2-ylmethyl)acetamide?
2-[3-(4-fluorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 419.41 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 20929691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).