2,7-diphenyl-2,3,4a,5,6,7,8,8a-octahydro-1H-1,6-naphthyridin-4-one

C20H22N2O — CID 118630174

IUPAC2,7-diphenyl-2,3,4a,5,6,7,8,8a-octahydro-1H-1,6-naphthyridin-4-one
SMILESO=C1CC(c2ccccc2)NC2CC(c3ccccc3)NCC12
InChIInChI=1S/C20H22N2O/c23-20-12-18(15-9-5-2-6-10-15)22-19-11-17(21-13-16(19)20)14-7-3-1-4-8-14/h1-10,16-19,21-22H,11-13H2
InChIKeyUSTOZXNQUITQKW-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.01
Rot. Bonds2

About 2,7-diphenyl-2,3,4a,5,6,7,8,8a-octahydro-1H-1,6-naphthyridin-4-one

2,7-diphenyl-2,3,4a,5,6,7,8,8a-octahydro-1H-1,6-naphthyridin-4-one (PubChem CID 118630174) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is 2,7-diphenyl-2,3,4a,5,6,7,8,8a-octahydro-1H-1,6-naphthyridin-4-one.

Molecular Properties

Compound Name2,7-diphenyl-2,3,4a,5,6,7,8,8a-octahydro-1H-1,6-naphthyridin-4-one
PubChem CID118630174
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC Name2,7-diphenyl-2,3,4a,5,6,7,8,8a-octahydro-1H-1,6-naphthyridin-4-one
SMILESO=C1CC(c2ccccc2)NC2CC(c3ccccc3)NCC12
InChIInChI=1S/C20H22N2O/c23-20-12-18(15-9-5-2-6-10-15)22-19-11-17(21-13-16(19)20)14-7-3-1-4-8-14/h1-10,16-19,21-22H,11-13H2
InChIKeyUSTOZXNQUITQKW-UHFFFAOYSA-N
XLogP3.01
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,7-diphenyl-2,3,4a,5,6,7,8,8a-octahydro-1H-1,6-naphthyridin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,7-diphenyl-2,3,4a,5,6,7,8,8a-octahydro-1H-1,6-naphthyridin-4-one?
The IUPAC name of 2,7-diphenyl-2,3,4a,5,6,7,8,8a-octahydro-1H-1,6-naphthyridin-4-one (CID 118630174) is 2,7-diphenyl-2,3,4a,5,6,7,8,8a-octahydro-1H-1,6-naphthyridin-4-one.
What is the SMILES notation for 2,7-diphenyl-2,3,4a,5,6,7,8,8a-octahydro-1H-1,6-naphthyridin-4-one?
The canonical SMILES for 2,7-diphenyl-2,3,4a,5,6,7,8,8a-octahydro-1H-1,6-naphthyridin-4-one is O=C1CC(c2ccccc2)NC2CC(c3ccccc3)NCC12.
What is the InChIKey of 2,7-diphenyl-2,3,4a,5,6,7,8,8a-octahydro-1H-1,6-naphthyridin-4-one?
The InChIKey is USTOZXNQUITQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O/c23-20-12-18(15-9-5-2-6-10-15)22-19-11-17(21-13-16(19)20)14-7-3-1-4-8-14/h1-10,16-19,21-22H,11-13H2.
What are the key properties of 2,7-diphenyl-2,3,4a,5,6,7,8,8a-octahydro-1H-1,6-naphthyridin-4-one?
2,7-diphenyl-2,3,4a,5,6,7,8,8a-octahydro-1H-1,6-naphthyridin-4-one has a molecular weight of 306.41 g/mol, XLogP of 3.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-diphenyl-2,3,4a,5,6,7,8,8a-octahydro-1H-1,6-naphthyridin-4-one is sourced from PubChem (CID 118630174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).