6-benzyl-2,5,7,8-tetrahydro-2,6-naphthyridin-3-one

C15H16N2O — CID 146160543

IUPAC6-benzyl-2,5,7,8-tetrahydro-2,6-naphthyridin-3-one
SMILESO=c1cc2c(c[nH]1)CCN(Cc1ccccc1)C2
InChIInChI=1S/C15H16N2O/c18-15-8-14-11-17(7-6-13(14)9-16-15)10-12-4-2-1-3-5-12/h1-5,8-9H,6-7,10-11H2,(H,16,18)
InChIKeyRFWBUOALYZYOHI-UHFFFAOYSA-N
MW240.31 g/mol
LogP1.93
Rot. Bonds2

About 6-benzyl-2,5,7,8-tetrahydro-2,6-naphthyridin-3-one

6-benzyl-2,5,7,8-tetrahydro-2,6-naphthyridin-3-one (PubChem CID 146160543) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 6-benzyl-2,5,7,8-tetrahydro-2,6-naphthyridin-3-one.

Molecular Properties

Compound Name6-benzyl-2,5,7,8-tetrahydro-2,6-naphthyridin-3-one
PubChem CID146160543
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name6-benzyl-2,5,7,8-tetrahydro-2,6-naphthyridin-3-one
SMILESO=c1cc2c(c[nH]1)CCN(Cc1ccccc1)C2
InChIInChI=1S/C15H16N2O/c18-15-8-14-11-17(7-6-13(14)9-16-15)10-12-4-2-1-3-5-12/h1-5,8-9H,6-7,10-11H2,(H,16,18)
InChIKeyRFWBUOALYZYOHI-UHFFFAOYSA-N
XLogP1.93
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-2,5,7,8-tetrahydro-2,6-naphthyridin-3-one?
The IUPAC name of 6-benzyl-2,5,7,8-tetrahydro-2,6-naphthyridin-3-one (CID 146160543) is 6-benzyl-2,5,7,8-tetrahydro-2,6-naphthyridin-3-one.
What is the SMILES notation for 6-benzyl-2,5,7,8-tetrahydro-2,6-naphthyridin-3-one?
The canonical SMILES for 6-benzyl-2,5,7,8-tetrahydro-2,6-naphthyridin-3-one is O=c1cc2c(c[nH]1)CCN(Cc1ccccc1)C2.
What is the InChIKey of 6-benzyl-2,5,7,8-tetrahydro-2,6-naphthyridin-3-one?
The InChIKey is RFWBUOALYZYOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c18-15-8-14-11-17(7-6-13(14)9-16-15)10-12-4-2-1-3-5-12/h1-5,8-9H,6-7,10-11H2,(H,16,18).
What are the key properties of 6-benzyl-2,5,7,8-tetrahydro-2,6-naphthyridin-3-one?
6-benzyl-2,5,7,8-tetrahydro-2,6-naphthyridin-3-one has a molecular weight of 240.31 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-2,5,7,8-tetrahydro-2,6-naphthyridin-3-one is sourced from PubChem (CID 146160543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).