9-bromo-6-(ethylamino)-4-methyl-2H-benzo[c][1,6]naphthyridin-1-one

C15H14BrN3O — CID 145475335

IUPAC9-bromo-6-(ethylamino)-4-methyl-2H-benzo[c][1,6]naphthyridin-1-one
SMILESCCNc1nc2c(C)c[nH]c(=O)c2c2cc(Br)ccc12
InChIInChI=1S/C15H14BrN3O/c1-3-17-14-10-5-4-9(16)6-11(10)12-13(19-14)8(2)7-18-15(12)20/h4-7H,3H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyYQAGPIBUGDDJBD-UHFFFAOYSA-N
MW332.20 g/mol
LogP3.58
Rot. Bonds2

About 9-bromo-6-(ethylamino)-4-methyl-2H-benzo[c][1,6]naphthyridin-1-one

9-bromo-6-(ethylamino)-4-methyl-2H-benzo[c][1,6]naphthyridin-1-one (PubChem CID 145475335) has the molecular formula C15H14BrN3O and a molecular weight of 332.20 g/mol. Its IUPAC name is 9-bromo-6-(ethylamino)-4-methyl-2H-benzo[c][1,6]naphthyridin-1-one.

Molecular Properties

Compound Name9-bromo-6-(ethylamino)-4-methyl-2H-benzo[c][1,6]naphthyridin-1-one
PubChem CID145475335
Molecular FormulaC15H14BrN3O
Molecular Weight332.20 g/mol
Exact Mass331.03
IUPAC Name9-bromo-6-(ethylamino)-4-methyl-2H-benzo[c][1,6]naphthyridin-1-one
SMILESCCNc1nc2c(C)c[nH]c(=O)c2c2cc(Br)ccc12
InChIInChI=1S/C15H14BrN3O/c1-3-17-14-10-5-4-9(16)6-11(10)12-13(19-14)8(2)7-18-15(12)20/h4-7H,3H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyYQAGPIBUGDDJBD-UHFFFAOYSA-N
XLogP3.58
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.20
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 9-bromo-6-(ethylamino)-4-methyl-2H-benzo[c][1,6]naphthyridin-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-bromo-6-(ethylamino)-4-methyl-2H-benzo[c][1,6]naphthyridin-1-one?
The IUPAC name of 9-bromo-6-(ethylamino)-4-methyl-2H-benzo[c][1,6]naphthyridin-1-one (CID 145475335) is 9-bromo-6-(ethylamino)-4-methyl-2H-benzo[c][1,6]naphthyridin-1-one.
What is the SMILES notation for 9-bromo-6-(ethylamino)-4-methyl-2H-benzo[c][1,6]naphthyridin-1-one?
The canonical SMILES for 9-bromo-6-(ethylamino)-4-methyl-2H-benzo[c][1,6]naphthyridin-1-one is CCNc1nc2c(C)c[nH]c(=O)c2c2cc(Br)ccc12.
What is the InChIKey of 9-bromo-6-(ethylamino)-4-methyl-2H-benzo[c][1,6]naphthyridin-1-one?
The InChIKey is YQAGPIBUGDDJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O/c1-3-17-14-10-5-4-9(16)6-11(10)12-13(19-14)8(2)7-18-15(12)20/h4-7H,3H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of 9-bromo-6-(ethylamino)-4-methyl-2H-benzo[c][1,6]naphthyridin-1-one?
9-bromo-6-(ethylamino)-4-methyl-2H-benzo[c][1,6]naphthyridin-1-one has a molecular weight of 332.20 g/mol, XLogP of 3.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-6-(ethylamino)-4-methyl-2H-benzo[c][1,6]naphthyridin-1-one is sourced from PubChem (CID 145475335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).