6-methoxy-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboximidamide

C15H18N4O — CID 82451922

IUPAC6-methoxy-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboximidamide
SMILES[H]/N=C(\N)c1c2c(nc3c(OC)cccc13)CCN(C)C2
InChIInChI=1S/C15H18N4O/c1-19-7-6-11-10(8-19)13(15(16)17)9-4-3-5-12(20-2)14(9)18-11/h3-5H,6-8H2,1-2H3,(H3,16,17)
InChIKeyDDQBRPLWHWMMQL-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.52
Rot. Bonds2

About 6-methoxy-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboximidamide

6-methoxy-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboximidamide (PubChem CID 82451922) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 6-methoxy-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboximidamide.

Molecular Properties

Compound Name6-methoxy-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboximidamide
PubChem CID82451922
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name6-methoxy-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboximidamide
SMILES[H]/N=C(\N)c1c2c(nc3c(OC)cccc13)CCN(C)C2
InChIInChI=1S/C15H18N4O/c1-19-7-6-11-10(8-19)13(15(16)17)9-4-3-5-12(20-2)14(9)18-11/h3-5H,6-8H2,1-2H3,(H3,16,17)
InChIKeyDDQBRPLWHWMMQL-UHFFFAOYSA-N
XLogP1.52
TPSA75.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboximidamide?
The IUPAC name of 6-methoxy-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboximidamide (CID 82451922) is 6-methoxy-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboximidamide.
What is the SMILES notation for 6-methoxy-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboximidamide?
The canonical SMILES for 6-methoxy-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboximidamide is [H]/N=C(\N)c1c2c(nc3c(OC)cccc13)CCN(C)C2.
What is the InChIKey of 6-methoxy-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboximidamide?
The InChIKey is DDQBRPLWHWMMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-19-7-6-11-10(8-19)13(15(16)17)9-4-3-5-12(20-2)14(9)18-11/h3-5H,6-8H2,1-2H3,(H3,16,17).
What are the key properties of 6-methoxy-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboximidamide?
6-methoxy-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboximidamide has a molecular weight of 270.34 g/mol, XLogP of 1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboximidamide is sourced from PubChem (CID 82451922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).