1,6-dimethoxy-2-methyl-4a,5-dihydro-1H-benzo[c][1,6]naphthyridine

C15H18N2O2 — CID 91013213

IUPAC1,6-dimethoxy-2-methyl-4a,5-dihydro-1H-benzo[c][1,6]naphthyridine
SMILESCOC1=c2ccccc2=C2C(C=CN(C)C2OC)N1
InChIInChI=1S/C15H18N2O2/c1-17-9-8-12-13(15(17)19-3)10-6-4-5-7-11(10)14(16-12)18-2/h4-9,12,15-16H,1-3H3
InChIKeyRMGXZFWJYMAWNV-UHFFFAOYSA-N
MW258.32 g/mol
LogP-0.05
Rot. Bonds2

About 1,6-dimethoxy-2-methyl-4a,5-dihydro-1H-benzo[c][1,6]naphthyridine

1,6-dimethoxy-2-methyl-4a,5-dihydro-1H-benzo[c][1,6]naphthyridine (PubChem CID 91013213) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1,6-dimethoxy-2-methyl-4a,5-dihydro-1H-benzo[c][1,6]naphthyridine.

Molecular Properties

Compound Name1,6-dimethoxy-2-methyl-4a,5-dihydro-1H-benzo[c][1,6]naphthyridine
PubChem CID91013213
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name1,6-dimethoxy-2-methyl-4a,5-dihydro-1H-benzo[c][1,6]naphthyridine
SMILESCOC1=c2ccccc2=C2C(C=CN(C)C2OC)N1
InChIInChI=1S/C15H18N2O2/c1-17-9-8-12-13(15(17)19-3)10-6-4-5-7-11(10)14(16-12)18-2/h4-9,12,15-16H,1-3H3
InChIKeyRMGXZFWJYMAWNV-UHFFFAOYSA-N
XLogP-0.05
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,6-dimethoxy-2-methyl-4a,5-dihydro-1H-benzo[c][1,6]naphthyridine?
The IUPAC name of 1,6-dimethoxy-2-methyl-4a,5-dihydro-1H-benzo[c][1,6]naphthyridine (CID 91013213) is 1,6-dimethoxy-2-methyl-4a,5-dihydro-1H-benzo[c][1,6]naphthyridine.
What is the SMILES notation for 1,6-dimethoxy-2-methyl-4a,5-dihydro-1H-benzo[c][1,6]naphthyridine?
The canonical SMILES for 1,6-dimethoxy-2-methyl-4a,5-dihydro-1H-benzo[c][1,6]naphthyridine is COC1=c2ccccc2=C2C(C=CN(C)C2OC)N1.
What is the InChIKey of 1,6-dimethoxy-2-methyl-4a,5-dihydro-1H-benzo[c][1,6]naphthyridine?
The InChIKey is RMGXZFWJYMAWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-17-9-8-12-13(15(17)19-3)10-6-4-5-7-11(10)14(16-12)18-2/h4-9,12,15-16H,1-3H3.
What are the key properties of 1,6-dimethoxy-2-methyl-4a,5-dihydro-1H-benzo[c][1,6]naphthyridine?
1,6-dimethoxy-2-methyl-4a,5-dihydro-1H-benzo[c][1,6]naphthyridine has a molecular weight of 258.32 g/mol, XLogP of -0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethoxy-2-methyl-4a,5-dihydro-1H-benzo[c][1,6]naphthyridine is sourced from PubChem (CID 91013213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).