2-(7-bromo-3H-imidazo[4,5-c]quinolin-2-yl)-N,N-dimethylaniline

C18H15BrN4 — CID 57394269

IUPAC2-(7-bromo-3H-imidazo[4,5-c]quinolin-2-yl)-N,N-dimethylaniline
SMILESCN(C)c1ccccc1-c1nc2c(cnc3cc(Br)ccc32)[nH]1
InChIInChI=1S/C18H15BrN4/c1-23(2)16-6-4-3-5-13(16)18-21-15-10-20-14-9-11(19)7-8-12(14)17(15)22-18/h3-10H,1-2H3,(H,21,22)
InChIKeyQJSPTDMRGSOWCK-UHFFFAOYSA-N
MW367.25 g/mol
LogP4.61
Rot. Bonds2

About 2-(7-bromo-3H-imidazo[4,5-c]quinolin-2-yl)-N,N-dimethylaniline

2-(7-bromo-3H-imidazo[4,5-c]quinolin-2-yl)-N,N-dimethylaniline (PubChem CID 57394269) has the molecular formula C18H15BrN4 and a molecular weight of 367.25 g/mol. Its IUPAC name is 2-(7-bromo-3H-imidazo[4,5-c]quinolin-2-yl)-N,N-dimethylaniline.

Molecular Properties

Compound Name2-(7-bromo-3H-imidazo[4,5-c]quinolin-2-yl)-N,N-dimethylaniline
PubChem CID57394269
Molecular FormulaC18H15BrN4
Molecular Weight367.25 g/mol
Exact Mass366.05
IUPAC Name2-(7-bromo-3H-imidazo[4,5-c]quinolin-2-yl)-N,N-dimethylaniline
SMILESCN(C)c1ccccc1-c1nc2c(cnc3cc(Br)ccc32)[nH]1
InChIInChI=1S/C18H15BrN4/c1-23(2)16-6-4-3-5-13(16)18-21-15-10-20-14-9-11(19)7-8-12(14)17(15)22-18/h3-10H,1-2H3,(H,21,22)
InChIKeyQJSPTDMRGSOWCK-UHFFFAOYSA-N
XLogP4.61
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.25
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(7-bromo-3H-imidazo[4,5-c]quinolin-2-yl)-N,N-dimethylaniline?
The IUPAC name of 2-(7-bromo-3H-imidazo[4,5-c]quinolin-2-yl)-N,N-dimethylaniline (CID 57394269) is 2-(7-bromo-3H-imidazo[4,5-c]quinolin-2-yl)-N,N-dimethylaniline.
What is the SMILES notation for 2-(7-bromo-3H-imidazo[4,5-c]quinolin-2-yl)-N,N-dimethylaniline?
The canonical SMILES for 2-(7-bromo-3H-imidazo[4,5-c]quinolin-2-yl)-N,N-dimethylaniline is CN(C)c1ccccc1-c1nc2c(cnc3cc(Br)ccc32)[nH]1.
What is the InChIKey of 2-(7-bromo-3H-imidazo[4,5-c]quinolin-2-yl)-N,N-dimethylaniline?
The InChIKey is QJSPTDMRGSOWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN4/c1-23(2)16-6-4-3-5-13(16)18-21-15-10-20-14-9-11(19)7-8-12(14)17(15)22-18/h3-10H,1-2H3,(H,21,22).
What are the key properties of 2-(7-bromo-3H-imidazo[4,5-c]quinolin-2-yl)-N,N-dimethylaniline?
2-(7-bromo-3H-imidazo[4,5-c]quinolin-2-yl)-N,N-dimethylaniline has a molecular weight of 367.25 g/mol, XLogP of 4.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-bromo-3H-imidazo[4,5-c]quinolin-2-yl)-N,N-dimethylaniline is sourced from PubChem (CID 57394269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).