3-bromo-7-phenylquinolino[3,2-c][1,8]naphthyridine

C21H12BrN3 — CID 12619164

IUPAC3-bromo-7-phenylquinolino[3,2-c][1,8]naphthyridine
SMILESBrc1ccc2c(ncc3c(-c4ccccc4)c4ccccc4nc32)n1
InChIInChI=1S/C21H12BrN3/c22-18-11-10-15-20-16(12-23-21(15)25-18)19(13-6-2-1-3-7-13)14-8-4-5-9-17(14)24-20/h1-12H
InChIKeyNBBYTUHWCLNHNT-UHFFFAOYSA-N
MW386.25 g/mol
LogP5.76
Rot. Bonds1

About 3-bromo-7-phenylquinolino[3,2-c][1,8]naphthyridine

3-bromo-7-phenylquinolino[3,2-c][1,8]naphthyridine (PubChem CID 12619164) has the molecular formula C21H12BrN3 and a molecular weight of 386.25 g/mol. Its IUPAC name is 3-bromo-7-phenylquinolino[3,2-c][1,8]naphthyridine.

Molecular Properties

Compound Name3-bromo-7-phenylquinolino[3,2-c][1,8]naphthyridine
PubChem CID12619164
Molecular FormulaC21H12BrN3
Molecular Weight386.25 g/mol
Exact Mass385.02
IUPAC Name3-bromo-7-phenylquinolino[3,2-c][1,8]naphthyridine
SMILESBrc1ccc2c(ncc3c(-c4ccccc4)c4ccccc4nc32)n1
InChIInChI=1S/C21H12BrN3/c22-18-11-10-15-20-16(12-23-21(15)25-18)19(13-6-2-1-3-7-13)14-8-4-5-9-17(14)24-20/h1-12H
InChIKeyNBBYTUHWCLNHNT-UHFFFAOYSA-N
XLogP5.76
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.25
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 3-bromo-7-phenylquinolino[3,2-c][1,8]naphthyridine with MolForge

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

Launch Full Analysis

Related Compounds

2-bromo-7-phenylbenzo[b][1,10]phenanthroline
CID 134559754
9-phenylacridin-4-ol
CID 59256664
2,4,9-triphenylacridine
CID 132505003
2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-7-phenylbenzo[b][1,10]phenanthroline
CID 139445819
7-phenyl-2-[6-(6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]benzo[b][1,10]phenanthroline
CID 139445668
7-(3-benzo[b][1,10]phenanthrolin-7-ylphenyl)benzo[b][1,10]phenanthroline;7-(5-benzo[b][1,10]phenanthrolin-7-yl-3-pyridinyl)benzo[b][1,10]phenanthroline;7-(6-benzo[b][1,10]phenanthrolin-7-yl-2-pyridinyl)benzo[b][1,10]phenanthroline
CID 158503228
7-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]benzo[c]acridine
CID 144856144
2-bromo-5-(3,10-diphenylanthracen-9-yl)pyridine;2,2-dimethylpropane
CID 142353445
2-phenyl-7-[6-(9-phenyl-1,10-phenanthrolin-2-yl)naphthalen-2-yl]benzo[b][1,10]phenanthroline
CID 139446000
7-[4-(4,6-dinaphthalen-2-yl-2-pyridinyl)phenyl]-2-phenylbenzo[b][1,10]phenanthroline
CID 139445803
bis(3,4-diphenylquinoline);hydrate
CID 139201276
12-phenyl-7-(4-phenylphenyl)benzo[j]phenanthridine
CID 59183703

Frequently Asked Questions

What is the IUPAC name of 3-bromo-7-phenylquinolino[3,2-c][1,8]naphthyridine?
The IUPAC name of 3-bromo-7-phenylquinolino[3,2-c][1,8]naphthyridine (CID 12619164) is 3-bromo-7-phenylquinolino[3,2-c][1,8]naphthyridine.
What is the SMILES notation for 3-bromo-7-phenylquinolino[3,2-c][1,8]naphthyridine?
The canonical SMILES for 3-bromo-7-phenylquinolino[3,2-c][1,8]naphthyridine is Brc1ccc2c(ncc3c(-c4ccccc4)c4ccccc4nc32)n1.
What is the InChIKey of 3-bromo-7-phenylquinolino[3,2-c][1,8]naphthyridine?
The InChIKey is NBBYTUHWCLNHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12BrN3/c22-18-11-10-15-20-16(12-23-21(15)25-18)19(13-6-2-1-3-7-13)14-8-4-5-9-17(14)24-20/h1-12H.
What are the key properties of 3-bromo-7-phenylquinolino[3,2-c][1,8]naphthyridine?
3-bromo-7-phenylquinolino[3,2-c][1,8]naphthyridine has a molecular weight of 386.25 g/mol, XLogP of 5.76, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-7-phenylquinolino[3,2-c][1,8]naphthyridine is sourced from PubChem (CID 12619164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).