9-[(4-fluorophenyl)methyl]-11-hydroxy-7-methylidene-5,8-dihydropyrazino[1,2-g][1,6]naphthyridin-10-one

C19H16FN3O2 — CID 58928668

IUPAC9-[(4-fluorophenyl)methyl]-11-hydroxy-7-methylidene-5,8-dihydropyrazino[1,2-g][1,6]naphthyridin-10-one
SMILESC=C1CN(Cc2ccc(F)cc2)C(=O)C2=C(O)c3ncccc3CN12
InChIInChI=1S/C19H16FN3O2/c1-12-9-22(10-13-4-6-15(20)7-5-13)19(25)17-18(24)16-14(11-23(12)17)3-2-8-21-16/h2-8,24H,1,9-11H2
InChIKeyZQZHVAQGTGNFFK-UHFFFAOYSA-N
MW337.35 g/mol
LogP2.82
Rot. Bonds2

About 9-[(4-fluorophenyl)methyl]-11-hydroxy-7-methylidene-5,8-dihydropyrazino[1,2-g][1,6]naphthyridin-10-one

9-[(4-fluorophenyl)methyl]-11-hydroxy-7-methylidene-5,8-dihydropyrazino[1,2-g][1,6]naphthyridin-10-one (PubChem CID 58928668) has the molecular formula C19H16FN3O2 and a molecular weight of 337.35 g/mol. Its IUPAC name is 9-[(4-fluorophenyl)methyl]-11-hydroxy-7-methylidene-5,8-dihydropyrazino[1,2-g][1,6]naphthyridin-10-one.

Molecular Properties

Compound Name9-[(4-fluorophenyl)methyl]-11-hydroxy-7-methylidene-5,8-dihydropyrazino[1,2-g][1,6]naphthyridin-10-one
PubChem CID58928668
Molecular FormulaC19H16FN3O2
Molecular Weight337.35 g/mol
Exact Mass337.12
IUPAC Name9-[(4-fluorophenyl)methyl]-11-hydroxy-7-methylidene-5,8-dihydropyrazino[1,2-g][1,6]naphthyridin-10-one
SMILESC=C1CN(Cc2ccc(F)cc2)C(=O)C2=C(O)c3ncccc3CN12
InChIInChI=1S/C19H16FN3O2/c1-12-9-22(10-13-4-6-15(20)7-5-13)19(25)17-18(24)16-14(11-23(12)17)3-2-8-21-16/h2-8,24H,1,9-11H2
InChIKeyZQZHVAQGTGNFFK-UHFFFAOYSA-N
XLogP2.82
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-[(4-fluorophenyl)methyl]-11-hydroxy-7-methylidene-5,8-dihydropyrazino[1,2-g][1,6]naphthyridin-10-one?
The IUPAC name of 9-[(4-fluorophenyl)methyl]-11-hydroxy-7-methylidene-5,8-dihydropyrazino[1,2-g][1,6]naphthyridin-10-one (CID 58928668) is 9-[(4-fluorophenyl)methyl]-11-hydroxy-7-methylidene-5,8-dihydropyrazino[1,2-g][1,6]naphthyridin-10-one.
What is the SMILES notation for 9-[(4-fluorophenyl)methyl]-11-hydroxy-7-methylidene-5,8-dihydropyrazino[1,2-g][1,6]naphthyridin-10-one?
The canonical SMILES for 9-[(4-fluorophenyl)methyl]-11-hydroxy-7-methylidene-5,8-dihydropyrazino[1,2-g][1,6]naphthyridin-10-one is C=C1CN(Cc2ccc(F)cc2)C(=O)C2=C(O)c3ncccc3CN12.
What is the InChIKey of 9-[(4-fluorophenyl)methyl]-11-hydroxy-7-methylidene-5,8-dihydropyrazino[1,2-g][1,6]naphthyridin-10-one?
The InChIKey is ZQZHVAQGTGNFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O2/c1-12-9-22(10-13-4-6-15(20)7-5-13)19(25)17-18(24)16-14(11-23(12)17)3-2-8-21-16/h2-8,24H,1,9-11H2.
What are the key properties of 9-[(4-fluorophenyl)methyl]-11-hydroxy-7-methylidene-5,8-dihydropyrazino[1,2-g][1,6]naphthyridin-10-one?
9-[(4-fluorophenyl)methyl]-11-hydroxy-7-methylidene-5,8-dihydropyrazino[1,2-g][1,6]naphthyridin-10-one has a molecular weight of 337.35 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(4-fluorophenyl)methyl]-11-hydroxy-7-methylidene-5,8-dihydropyrazino[1,2-g][1,6]naphthyridin-10-one is sourced from PubChem (CID 58928668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).