3-(4-bromophenyl)-1H-cinnolin-4-one

C14H9BrN2O — CID 15194097

IUPAC3-(4-bromophenyl)-1H-cinnolin-4-one
SMILESO=c1c(-c2ccc(Br)cc2)n[nH]c2ccccc12
InChIInChI=1S/C14H9BrN2O/c15-10-7-5-9(6-8-10)13-14(18)11-3-1-2-4-12(11)16-17-13/h1-8H,(H,16,18)
InChIKeyNDPFIPMPSADLMV-UHFFFAOYSA-N
MW301.14 g/mol
LogP3.35
Rot. Bonds1

About 3-(4-bromophenyl)-1H-cinnolin-4-one

3-(4-bromophenyl)-1H-cinnolin-4-one (PubChem CID 15194097) has the molecular formula C14H9BrN2O and a molecular weight of 301.14 g/mol. Its IUPAC name is 3-(4-bromophenyl)-1H-cinnolin-4-one.

Molecular Properties

Compound Name3-(4-bromophenyl)-1H-cinnolin-4-one
PubChem CID15194097
Molecular FormulaC14H9BrN2O
Molecular Weight301.14 g/mol
Exact Mass299.99
IUPAC Name3-(4-bromophenyl)-1H-cinnolin-4-one
SMILESO=c1c(-c2ccc(Br)cc2)n[nH]c2ccccc12
InChIInChI=1S/C14H9BrN2O/c15-10-7-5-9(6-8-10)13-14(18)11-3-1-2-4-12(11)16-17-13/h1-8H,(H,16,18)
InChIKeyNDPFIPMPSADLMV-UHFFFAOYSA-N
XLogP3.35
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.14
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(4-bromophenyl)-1H-cinnolin-4-one 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

3-(4-methylsulfonylphenyl)-1H-indazole
CID 72895811
fluoroform;3-phenyl-1H-indazole
CID 160622015
3-ethynyl-1H-cinnolin-4-one
CID 12908788
4-(4-bromophenyl)-5-phenyl-2H-triazole
CID 134910162
3-(4-fluoranthen-3-ylphenyl)-1H-indazole
CID 148930658
3-(3,5-diphenylphenyl)-1H-indazole
CID 142357512
1-(4-bromophenyl)-3-(1H-indazol-3-yl)urea
CID 25197647
4-(1H-indazol-3-yl)-N-phenylbenzamide
CID 146637903
5-(4-bromophenyl)-11H-indolo[3,2-c]isoquinoline
CID 101486334
3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-1H-quinolin-4-one
CID 135636020
2-(4-bromophenyl)-6H-imidazo[1,2-c]quinazolin-5-one
CID 135496175
4-phenyl-2H-phthalazin-1-one;hydrate
CID 51057017

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-1H-cinnolin-4-one?
The IUPAC name of 3-(4-bromophenyl)-1H-cinnolin-4-one (CID 15194097) is 3-(4-bromophenyl)-1H-cinnolin-4-one.
What is the SMILES notation for 3-(4-bromophenyl)-1H-cinnolin-4-one?
The canonical SMILES for 3-(4-bromophenyl)-1H-cinnolin-4-one is O=c1c(-c2ccc(Br)cc2)n[nH]c2ccccc12.
What is the InChIKey of 3-(4-bromophenyl)-1H-cinnolin-4-one?
The InChIKey is NDPFIPMPSADLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrN2O/c15-10-7-5-9(6-8-10)13-14(18)11-3-1-2-4-12(11)16-17-13/h1-8H,(H,16,18).
What are the key properties of 3-(4-bromophenyl)-1H-cinnolin-4-one?
3-(4-bromophenyl)-1H-cinnolin-4-one has a molecular weight of 301.14 g/mol, XLogP of 3.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-1H-cinnolin-4-one is sourced from PubChem (CID 15194097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).