9-bromo-7-pyridin-2-ylbenzo[a]quinolizin-6-one

C18H11BrN2O — CID 122207656

IUPAC9-bromo-7-pyridin-2-ylbenzo[a]quinolizin-6-one
SMILESO=c1c(-c2ccccn2)c2cc(Br)ccc2c2ccccn12
InChIInChI=1S/C18H11BrN2O/c19-12-7-8-13-14(11-12)17(15-5-1-3-9-20-15)18(22)21-10-4-2-6-16(13)21/h1-11H
InChIKeyWNDKSJMSLZJXMW-UHFFFAOYSA-N
MW351.20 g/mol
LogP4.28
Rot. Bonds1

About 9-bromo-7-pyridin-2-ylbenzo[a]quinolizin-6-one

9-bromo-7-pyridin-2-ylbenzo[a]quinolizin-6-one (PubChem CID 122207656) has the molecular formula C18H11BrN2O and a molecular weight of 351.20 g/mol. Its IUPAC name is 9-bromo-7-pyridin-2-ylbenzo[a]quinolizin-6-one.

Molecular Properties

Compound Name9-bromo-7-pyridin-2-ylbenzo[a]quinolizin-6-one
PubChem CID122207656
Molecular FormulaC18H11BrN2O
Molecular Weight351.20 g/mol
Exact Mass350.01
IUPAC Name9-bromo-7-pyridin-2-ylbenzo[a]quinolizin-6-one
SMILESO=c1c(-c2ccccn2)c2cc(Br)ccc2c2ccccn12
InChIInChI=1S/C18H11BrN2O/c19-12-7-8-13-14(11-12)17(15-5-1-3-9-20-15)18(22)21-10-4-2-6-16(13)21/h1-11H
InChIKeyWNDKSJMSLZJXMW-UHFFFAOYSA-N
XLogP4.28
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.20
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-9-[4-(3,5-dipyridin-2-ylphenyl)phenyl]carbazole
CID 118587038
7-phenylbenzo[a]quinolizin-6-one
CID 132564756
2-bromo-9-[3-(3,5-dipyridin-2-ylphenyl)phenyl]carbazole
CID 118587567
9-(6-carbazol-9-yl-9,10-dipyridin-2-ylanthracen-2-yl)carbazole
CID 59221065
5-bromo-1-methyl-3-pyridin-2-ylindazole
CID 86700226
7-(4-chlorophenyl)benzo[a]quinolizin-6-one
CID 132564751
4-benzyl-7-bromoimidazo[1,2-a]quinazolin-5-one
CID 142161387
4-bromo-8,10,13,15-tetrazaheptacyclo[13.9.2.02,7.08,25.09,14.016,21.022,26]hexacosa-1(25),2(7),3,5,9,11,13,16,18,20,22(26),23-dodecaene
CID 149498274
8-bromo-5-methoxyphenanthridin-6-one
CID 71503853
1-[3,5-bis(3-pyridin-2-ylimidazo[1,5-a]pyridin-1-yl)phenyl]-3-pyridin-2-ylimidazo[1,5-a]pyridine
CID 118322669
6-bromo-3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]quinazolin-4-one
CID 25307974
3-pyridin-2-yl-1-[5-(3-pyridin-2-ylimidazo[1,5-a]pyridin-1-yl)-1H-pyrrol-2-yl]imidazo[1,5-a]pyridine
CID 118322664

Frequently Asked Questions

What is the IUPAC name of 9-bromo-7-pyridin-2-ylbenzo[a]quinolizin-6-one?
The IUPAC name of 9-bromo-7-pyridin-2-ylbenzo[a]quinolizin-6-one (CID 122207656) is 9-bromo-7-pyridin-2-ylbenzo[a]quinolizin-6-one.
What is the SMILES notation for 9-bromo-7-pyridin-2-ylbenzo[a]quinolizin-6-one?
The canonical SMILES for 9-bromo-7-pyridin-2-ylbenzo[a]quinolizin-6-one is O=c1c(-c2ccccn2)c2cc(Br)ccc2c2ccccn12.
What is the InChIKey of 9-bromo-7-pyridin-2-ylbenzo[a]quinolizin-6-one?
The InChIKey is WNDKSJMSLZJXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11BrN2O/c19-12-7-8-13-14(11-12)17(15-5-1-3-9-20-15)18(22)21-10-4-2-6-16(13)21/h1-11H.
What are the key properties of 9-bromo-7-pyridin-2-ylbenzo[a]quinolizin-6-one?
9-bromo-7-pyridin-2-ylbenzo[a]quinolizin-6-one has a molecular weight of 351.20 g/mol, XLogP of 4.28, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-7-pyridin-2-ylbenzo[a]quinolizin-6-one is sourced from PubChem (CID 122207656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).