9-methoxy-3-methyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[c][2,7]naphthyridine

C14H20N2O — CID 84627031

IUPAC9-methoxy-3-methyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[c][2,7]naphthyridine
SMILESCOc1ccc2c(c1)C1CCN(C)CC1CN2
InChIInChI=1S/C14H20N2O/c1-16-6-5-12-10(9-16)8-15-14-4-3-11(17-2)7-13(12)14/h3-4,7,10,12,15H,5-6,8-9H2,1-2H3
InChIKeyBQBBFIPAEJTNSG-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.16
Rot. Bonds1

About 9-methoxy-3-methyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[c][2,7]naphthyridine

9-methoxy-3-methyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[c][2,7]naphthyridine (PubChem CID 84627031) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 9-methoxy-3-methyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[c][2,7]naphthyridine.

Molecular Properties

Compound Name9-methoxy-3-methyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[c][2,7]naphthyridine
PubChem CID84627031
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name9-methoxy-3-methyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[c][2,7]naphthyridine
SMILESCOc1ccc2c(c1)C1CCN(C)CC1CN2
InChIInChI=1S/C14H20N2O/c1-16-6-5-12-10(9-16)8-15-14-4-3-11(17-2)7-13(12)14/h3-4,7,10,12,15H,5-6,8-9H2,1-2H3
InChIKeyBQBBFIPAEJTNSG-UHFFFAOYSA-N
XLogP2.16
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 9-methoxy-3-methyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[c][2,7]naphthyridine with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 9-methoxy-3-methyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[c][2,7]naphthyridine?
The IUPAC name of 9-methoxy-3-methyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[c][2,7]naphthyridine (CID 84627031) is 9-methoxy-3-methyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[c][2,7]naphthyridine.
What is the SMILES notation for 9-methoxy-3-methyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[c][2,7]naphthyridine?
The canonical SMILES for 9-methoxy-3-methyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[c][2,7]naphthyridine is COc1ccc2c(c1)C1CCN(C)CC1CN2.
What is the InChIKey of 9-methoxy-3-methyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[c][2,7]naphthyridine?
The InChIKey is BQBBFIPAEJTNSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-16-6-5-12-10(9-16)8-15-14-4-3-11(17-2)7-13(12)14/h3-4,7,10,12,15H,5-6,8-9H2,1-2H3.
What are the key properties of 9-methoxy-3-methyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[c][2,7]naphthyridine?
9-methoxy-3-methyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[c][2,7]naphthyridine has a molecular weight of 232.33 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-3-methyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[c][2,7]naphthyridine is sourced from PubChem (CID 84627031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).