7-bromo-2-(2-methylphenyl)-3H-imidazo[4,5-c]quinoline

C17H12BrN3 — CID 57399484

IUPAC7-bromo-2-(2-methylphenyl)-3H-imidazo[4,5-c]quinoline
SMILESCc1ccccc1-c1nc2c(cnc3cc(Br)ccc32)[nH]1
InChIInChI=1S/C17H12BrN3/c1-10-4-2-3-5-12(10)17-20-15-9-19-14-8-11(18)6-7-13(14)16(15)21-17/h2-9H,1H3,(H,20,21)
InChIKeyDNAMXRSPEQFVKD-UHFFFAOYSA-N
MW338.21 g/mol
LogP4.85
Rot. Bonds1

About 7-bromo-2-(2-methylphenyl)-3H-imidazo[4,5-c]quinoline

7-bromo-2-(2-methylphenyl)-3H-imidazo[4,5-c]quinoline (PubChem CID 57399484) has the molecular formula C17H12BrN3 and a molecular weight of 338.21 g/mol. Its IUPAC name is 7-bromo-2-(2-methylphenyl)-3H-imidazo[4,5-c]quinoline.

Molecular Properties

Compound Name7-bromo-2-(2-methylphenyl)-3H-imidazo[4,5-c]quinoline
PubChem CID57399484
Molecular FormulaC17H12BrN3
Molecular Weight338.21 g/mol
Exact Mass337.02
IUPAC Name7-bromo-2-(2-methylphenyl)-3H-imidazo[4,5-c]quinoline
SMILESCc1ccccc1-c1nc2c(cnc3cc(Br)ccc32)[nH]1
InChIInChI=1S/C17H12BrN3/c1-10-4-2-3-5-12(10)17-20-15-9-19-14-8-11(18)6-7-13(14)16(15)21-17/h2-9H,1H3,(H,20,21)
InChIKeyDNAMXRSPEQFVKD-UHFFFAOYSA-N
XLogP4.85
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.21
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-(2-methylphenyl)-3H-imidazo[4,5-c]quinoline?
The IUPAC name of 7-bromo-2-(2-methylphenyl)-3H-imidazo[4,5-c]quinoline (CID 57399484) is 7-bromo-2-(2-methylphenyl)-3H-imidazo[4,5-c]quinoline.
What is the SMILES notation for 7-bromo-2-(2-methylphenyl)-3H-imidazo[4,5-c]quinoline?
The canonical SMILES for 7-bromo-2-(2-methylphenyl)-3H-imidazo[4,5-c]quinoline is Cc1ccccc1-c1nc2c(cnc3cc(Br)ccc32)[nH]1.
What is the InChIKey of 7-bromo-2-(2-methylphenyl)-3H-imidazo[4,5-c]quinoline?
The InChIKey is DNAMXRSPEQFVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrN3/c1-10-4-2-3-5-12(10)17-20-15-9-19-14-8-11(18)6-7-13(14)16(15)21-17/h2-9H,1H3,(H,20,21).
What are the key properties of 7-bromo-2-(2-methylphenyl)-3H-imidazo[4,5-c]quinoline?
7-bromo-2-(2-methylphenyl)-3H-imidazo[4,5-c]quinoline has a molecular weight of 338.21 g/mol, XLogP of 4.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-(2-methylphenyl)-3H-imidazo[4,5-c]quinoline is sourced from PubChem (CID 57399484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).