2-[4-(8-bromo-2-hydrazinylimidazo[4,5-c]quinolin-1-yl)phenyl]-2-methylpropanenitrile

C20H17BrN6 — CID 135221688

IUPAC2-[4-(8-bromo-2-hydrazinylimidazo[4,5-c]quinolin-1-yl)phenyl]-2-methylpropanenitrile
SMILESCC(C)(C#N)c1ccc(-n2c(NN)nc3cnc4ccc(Br)cc4c32)cc1
InChIInChI=1S/C20H17BrN6/c1-20(2,11-22)12-3-6-14(7-4-12)27-18-15-9-13(21)5-8-16(15)24-10-17(18)25-19(27)26-23/h3-10H,23H2,1-2H3,(H,25,26)
InChIKeyQHMYHNLTRXZSBV-UHFFFAOYSA-N
MW421.30 g/mol
LogP4.42
Rot. Bonds3

About 2-[4-(8-bromo-2-hydrazinylimidazo[4,5-c]quinolin-1-yl)phenyl]-2-methylpropanenitrile

2-[4-(8-bromo-2-hydrazinylimidazo[4,5-c]quinolin-1-yl)phenyl]-2-methylpropanenitrile (PubChem CID 135221688) has the molecular formula C20H17BrN6 and a molecular weight of 421.30 g/mol. Its IUPAC name is 2-[4-(8-bromo-2-hydrazinylimidazo[4,5-c]quinolin-1-yl)phenyl]-2-methylpropanenitrile.

Molecular Properties

Compound Name2-[4-(8-bromo-2-hydrazinylimidazo[4,5-c]quinolin-1-yl)phenyl]-2-methylpropanenitrile
PubChem CID135221688
Molecular FormulaC20H17BrN6
Molecular Weight421.30 g/mol
Exact Mass420.07
IUPAC Name2-[4-(8-bromo-2-hydrazinylimidazo[4,5-c]quinolin-1-yl)phenyl]-2-methylpropanenitrile
SMILESCC(C)(C#N)c1ccc(-n2c(NN)nc3cnc4ccc(Br)cc4c32)cc1
InChIInChI=1S/C20H17BrN6/c1-20(2,11-22)12-3-6-14(7-4-12)27-18-15-9-13(21)5-8-16(15)24-10-17(18)25-19(27)26-23/h3-10H,23H2,1-2H3,(H,25,26)
InChIKeyQHMYHNLTRXZSBV-UHFFFAOYSA-N
XLogP4.42
TPSA92.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.30
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[4-(8-bromo-2-hydrazinylimidazo[4,5-c]quinolin-1-yl)phenyl]-2-methylpropanenitrile 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 2-[4-(8-bromo-2-hydrazinylimidazo[4,5-c]quinolin-1-yl)phenyl]-2-methylpropanenitrile?
The IUPAC name of 2-[4-(8-bromo-2-hydrazinylimidazo[4,5-c]quinolin-1-yl)phenyl]-2-methylpropanenitrile (CID 135221688) is 2-[4-(8-bromo-2-hydrazinylimidazo[4,5-c]quinolin-1-yl)phenyl]-2-methylpropanenitrile.
What is the SMILES notation for 2-[4-(8-bromo-2-hydrazinylimidazo[4,5-c]quinolin-1-yl)phenyl]-2-methylpropanenitrile?
The canonical SMILES for 2-[4-(8-bromo-2-hydrazinylimidazo[4,5-c]quinolin-1-yl)phenyl]-2-methylpropanenitrile is CC(C)(C#N)c1ccc(-n2c(NN)nc3cnc4ccc(Br)cc4c32)cc1.
What is the InChIKey of 2-[4-(8-bromo-2-hydrazinylimidazo[4,5-c]quinolin-1-yl)phenyl]-2-methylpropanenitrile?
The InChIKey is QHMYHNLTRXZSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrN6/c1-20(2,11-22)12-3-6-14(7-4-12)27-18-15-9-13(21)5-8-16(15)24-10-17(18)25-19(27)26-23/h3-10H,23H2,1-2H3,(H,25,26).
What are the key properties of 2-[4-(8-bromo-2-hydrazinylimidazo[4,5-c]quinolin-1-yl)phenyl]-2-methylpropanenitrile?
2-[4-(8-bromo-2-hydrazinylimidazo[4,5-c]quinolin-1-yl)phenyl]-2-methylpropanenitrile has a molecular weight of 421.30 g/mol, XLogP of 4.42, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(8-bromo-2-hydrazinylimidazo[4,5-c]quinolin-1-yl)phenyl]-2-methylpropanenitrile is sourced from PubChem (CID 135221688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).