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

C24H32N2O2 — CID 16758854

IUPAC6-(4-methoxyphenyl)-8-methyl-2-(3-methylbutyl)-1,3,4,7,8,10-hexahydropyrano[4,3-c][1,6]naphthyridine
SMILESCOc1ccc(-c2nc3c(c4c2CC(C)OC4)CN(CCC(C)C)CC3)cc1
InChIInChI=1S/C24H32N2O2/c1-16(2)9-11-26-12-10-23-21(14-26)22-15-28-17(3)13-20(22)24(25-23)18-5-7-19(27-4)8-6-18/h5-8,16-17H,9-15H2,1-4H3
InChIKeyWIMYFPKAIHZHDS-UHFFFAOYSA-N
MW380.53 g/mol
LogP4.62
Rot. Bonds5

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

6-(4-methoxyphenyl)-8-methyl-2-(3-methylbutyl)-1,3,4,7,8,10-hexahydropyrano[4,3-c][1,6]naphthyridine (PubChem CID 16758854) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-8-methyl-2-(3-methylbutyl)-1,3,4,7,8,10-hexahydropyrano[4,3-c][1,6]naphthyridine.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-8-methyl-2-(3-methylbutyl)-1,3,4,7,8,10-hexahydropyrano[4,3-c][1,6]naphthyridine
PubChem CID16758854
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC Name6-(4-methoxyphenyl)-8-methyl-2-(3-methylbutyl)-1,3,4,7,8,10-hexahydropyrano[4,3-c][1,6]naphthyridine
SMILESCOc1ccc(-c2nc3c(c4c2CC(C)OC4)CN(CCC(C)C)CC3)cc1
InChIInChI=1S/C24H32N2O2/c1-16(2)9-11-26-12-10-23-21(14-26)22-15-28-17(3)13-20(22)24(25-23)18-5-7-19(27-4)8-6-18/h5-8,16-17H,9-15H2,1-4H3
InChIKeyWIMYFPKAIHZHDS-UHFFFAOYSA-N
XLogP4.62
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-8-methyl-2-(3-methylbutyl)-1,3,4,7,8,10-hexahydropyrano[4,3-c][1,6]naphthyridine?
The IUPAC name of 6-(4-methoxyphenyl)-8-methyl-2-(3-methylbutyl)-1,3,4,7,8,10-hexahydropyrano[4,3-c][1,6]naphthyridine (CID 16758854) is 6-(4-methoxyphenyl)-8-methyl-2-(3-methylbutyl)-1,3,4,7,8,10-hexahydropyrano[4,3-c][1,6]naphthyridine.
What is the SMILES notation for 6-(4-methoxyphenyl)-8-methyl-2-(3-methylbutyl)-1,3,4,7,8,10-hexahydropyrano[4,3-c][1,6]naphthyridine?
The canonical SMILES for 6-(4-methoxyphenyl)-8-methyl-2-(3-methylbutyl)-1,3,4,7,8,10-hexahydropyrano[4,3-c][1,6]naphthyridine is COc1ccc(-c2nc3c(c4c2CC(C)OC4)CN(CCC(C)C)CC3)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-8-methyl-2-(3-methylbutyl)-1,3,4,7,8,10-hexahydropyrano[4,3-c][1,6]naphthyridine?
The InChIKey is WIMYFPKAIHZHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O2/c1-16(2)9-11-26-12-10-23-21(14-26)22-15-28-17(3)13-20(22)24(25-23)18-5-7-19(27-4)8-6-18/h5-8,16-17H,9-15H2,1-4H3.
What are the key properties of 6-(4-methoxyphenyl)-8-methyl-2-(3-methylbutyl)-1,3,4,7,8,10-hexahydropyrano[4,3-c][1,6]naphthyridine?
6-(4-methoxyphenyl)-8-methyl-2-(3-methylbutyl)-1,3,4,7,8,10-hexahydropyrano[4,3-c][1,6]naphthyridine has a molecular weight of 380.53 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-8-methyl-2-(3-methylbutyl)-1,3,4,7,8,10-hexahydropyrano[4,3-c][1,6]naphthyridine is sourced from PubChem (CID 16758854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).