8-methyl-2-(3-methylbutyl)-6-phenyl-1,3,4,7,8,10-hexahydropyrano[4,3-c][1,6]naphthyridine

C23H30N2O — CID 16758851

IUPAC8-methyl-2-(3-methylbutyl)-6-phenyl-1,3,4,7,8,10-hexahydropyrano[4,3-c][1,6]naphthyridine
SMILESCC(C)CCN1CCc2nc(-c3ccccc3)c3c(c2C1)COC(C)C3
InChIInChI=1S/C23H30N2O/c1-16(2)9-11-25-12-10-22-20(14-25)21-15-26-17(3)13-19(21)23(24-22)18-7-5-4-6-8-18/h4-8,16-17H,9-15H2,1-3H3
InChIKeyAIXQLNDNGJLHFO-UHFFFAOYSA-N
MW350.51 g/mol
LogP4.61
Rot. Bonds4

About 8-methyl-2-(3-methylbutyl)-6-phenyl-1,3,4,7,8,10-hexahydropyrano[4,3-c][1,6]naphthyridine

8-methyl-2-(3-methylbutyl)-6-phenyl-1,3,4,7,8,10-hexahydropyrano[4,3-c][1,6]naphthyridine (PubChem CID 16758851) has the molecular formula C23H30N2O and a molecular weight of 350.51 g/mol. Its IUPAC name is 8-methyl-2-(3-methylbutyl)-6-phenyl-1,3,4,7,8,10-hexahydropyrano[4,3-c][1,6]naphthyridine.

Molecular Properties

Compound Name8-methyl-2-(3-methylbutyl)-6-phenyl-1,3,4,7,8,10-hexahydropyrano[4,3-c][1,6]naphthyridine
PubChem CID16758851
Molecular FormulaC23H30N2O
Molecular Weight350.51 g/mol
Exact Mass350.24
IUPAC Name8-methyl-2-(3-methylbutyl)-6-phenyl-1,3,4,7,8,10-hexahydropyrano[4,3-c][1,6]naphthyridine
SMILESCC(C)CCN1CCc2nc(-c3ccccc3)c3c(c2C1)COC(C)C3
InChIInChI=1S/C23H30N2O/c1-16(2)9-11-25-12-10-22-20(14-25)21-15-26-17(3)13-19(21)23(24-22)18-7-5-4-6-8-18/h4-8,16-17H,9-15H2,1-3H3
InChIKeyAIXQLNDNGJLHFO-UHFFFAOYSA-N
XLogP4.61
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-(3-methylbutyl)-6-phenyl-1,3,4,7,8,10-hexahydropyrano[4,3-c][1,6]naphthyridine?
The IUPAC name of 8-methyl-2-(3-methylbutyl)-6-phenyl-1,3,4,7,8,10-hexahydropyrano[4,3-c][1,6]naphthyridine (CID 16758851) is 8-methyl-2-(3-methylbutyl)-6-phenyl-1,3,4,7,8,10-hexahydropyrano[4,3-c][1,6]naphthyridine.
What is the SMILES notation for 8-methyl-2-(3-methylbutyl)-6-phenyl-1,3,4,7,8,10-hexahydropyrano[4,3-c][1,6]naphthyridine?
The canonical SMILES for 8-methyl-2-(3-methylbutyl)-6-phenyl-1,3,4,7,8,10-hexahydropyrano[4,3-c][1,6]naphthyridine is CC(C)CCN1CCc2nc(-c3ccccc3)c3c(c2C1)COC(C)C3.
What is the InChIKey of 8-methyl-2-(3-methylbutyl)-6-phenyl-1,3,4,7,8,10-hexahydropyrano[4,3-c][1,6]naphthyridine?
The InChIKey is AIXQLNDNGJLHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O/c1-16(2)9-11-25-12-10-22-20(14-25)21-15-26-17(3)13-19(21)23(24-22)18-7-5-4-6-8-18/h4-8,16-17H,9-15H2,1-3H3.
What are the key properties of 8-methyl-2-(3-methylbutyl)-6-phenyl-1,3,4,7,8,10-hexahydropyrano[4,3-c][1,6]naphthyridine?
8-methyl-2-(3-methylbutyl)-6-phenyl-1,3,4,7,8,10-hexahydropyrano[4,3-c][1,6]naphthyridine has a molecular weight of 350.51 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-(3-methylbutyl)-6-phenyl-1,3,4,7,8,10-hexahydropyrano[4,3-c][1,6]naphthyridine is sourced from PubChem (CID 16758851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).