8,9-dimethoxy-2-methyl-4a,5,6,6a,10a,10b-hexahydro-1H-benzo[c][1,6]naphthyridine

C15H22N2O2 — CID 57168893

IUPAC8,9-dimethoxy-2-methyl-4a,5,6,6a,10a,10b-hexahydro-1H-benzo[c][1,6]naphthyridine
SMILESCOC1=CC2CNC3C=CN(C)CC3C2C=C1OC
InChIInChI=1S/C15H22N2O2/c1-17-5-4-13-12(9-17)11-7-15(19-3)14(18-2)6-10(11)8-16-13/h4-7,10-13,16H,8-9H2,1-3H3
InChIKeyIWDWHXIDWVJOEZ-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.34
Rot. Bonds2

About 8,9-dimethoxy-2-methyl-4a,5,6,6a,10a,10b-hexahydro-1H-benzo[c][1,6]naphthyridine

8,9-dimethoxy-2-methyl-4a,5,6,6a,10a,10b-hexahydro-1H-benzo[c][1,6]naphthyridine (PubChem CID 57168893) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 8,9-dimethoxy-2-methyl-4a,5,6,6a,10a,10b-hexahydro-1H-benzo[c][1,6]naphthyridine.

Molecular Properties

Compound Name8,9-dimethoxy-2-methyl-4a,5,6,6a,10a,10b-hexahydro-1H-benzo[c][1,6]naphthyridine
PubChem CID57168893
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name8,9-dimethoxy-2-methyl-4a,5,6,6a,10a,10b-hexahydro-1H-benzo[c][1,6]naphthyridine
SMILESCOC1=CC2CNC3C=CN(C)CC3C2C=C1OC
InChIInChI=1S/C15H22N2O2/c1-17-5-4-13-12(9-17)11-7-15(19-3)14(18-2)6-10(11)8-16-13/h4-7,10-13,16H,8-9H2,1-3H3
InChIKeyIWDWHXIDWVJOEZ-UHFFFAOYSA-N
XLogP1.34
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8,9-dimethoxy-2-methyl-4a,5,6,6a,10a,10b-hexahydro-1H-benzo[c][1,6]naphthyridine?
The IUPAC name of 8,9-dimethoxy-2-methyl-4a,5,6,6a,10a,10b-hexahydro-1H-benzo[c][1,6]naphthyridine (CID 57168893) is 8,9-dimethoxy-2-methyl-4a,5,6,6a,10a,10b-hexahydro-1H-benzo[c][1,6]naphthyridine.
What is the SMILES notation for 8,9-dimethoxy-2-methyl-4a,5,6,6a,10a,10b-hexahydro-1H-benzo[c][1,6]naphthyridine?
The canonical SMILES for 8,9-dimethoxy-2-methyl-4a,5,6,6a,10a,10b-hexahydro-1H-benzo[c][1,6]naphthyridine is COC1=CC2CNC3C=CN(C)CC3C2C=C1OC.
What is the InChIKey of 8,9-dimethoxy-2-methyl-4a,5,6,6a,10a,10b-hexahydro-1H-benzo[c][1,6]naphthyridine?
The InChIKey is IWDWHXIDWVJOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-17-5-4-13-12(9-17)11-7-15(19-3)14(18-2)6-10(11)8-16-13/h4-7,10-13,16H,8-9H2,1-3H3.
What are the key properties of 8,9-dimethoxy-2-methyl-4a,5,6,6a,10a,10b-hexahydro-1H-benzo[c][1,6]naphthyridine?
8,9-dimethoxy-2-methyl-4a,5,6,6a,10a,10b-hexahydro-1H-benzo[c][1,6]naphthyridine has a molecular weight of 262.35 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-dimethoxy-2-methyl-4a,5,6,6a,10a,10b-hexahydro-1H-benzo[c][1,6]naphthyridine is sourced from PubChem (CID 57168893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).