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

C22H14BrN3 — CID 57394267

IUPAC7-bromo-2-(2-phenylphenyl)-3H-imidazo[4,5-c]quinoline
SMILESBrc1ccc2c(c1)ncc1[nH]c(-c3ccccc3-c3ccccc3)nc12
InChIInChI=1S/C22H14BrN3/c23-15-10-11-18-19(12-15)24-13-20-21(18)26-22(25-20)17-9-5-4-8-16(17)14-6-2-1-3-7-14/h1-13H,(H,25,26)
InChIKeyPJTZQPFLWJJTRU-UHFFFAOYSA-N
MW400.28 g/mol
LogP6.21
Rot. Bonds2

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

7-bromo-2-(2-phenylphenyl)-3H-imidazo[4,5-c]quinoline (PubChem CID 57394267) has the molecular formula C22H14BrN3 and a molecular weight of 400.28 g/mol. Its IUPAC name is 7-bromo-2-(2-phenylphenyl)-3H-imidazo[4,5-c]quinoline.

Molecular Properties

Compound Name7-bromo-2-(2-phenylphenyl)-3H-imidazo[4,5-c]quinoline
PubChem CID57394267
Molecular FormulaC22H14BrN3
Molecular Weight400.28 g/mol
Exact Mass399.04
IUPAC Name7-bromo-2-(2-phenylphenyl)-3H-imidazo[4,5-c]quinoline
SMILESBrc1ccc2c(c1)ncc1[nH]c(-c3ccccc3-c3ccccc3)nc12
InChIInChI=1S/C22H14BrN3/c23-15-10-11-18-19(12-15)24-13-20-21(18)26-22(25-20)17-9-5-4-8-16(17)14-6-2-1-3-7-14/h1-13H,(H,25,26)
InChIKeyPJTZQPFLWJJTRU-UHFFFAOYSA-N
XLogP6.21
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.28
LogP ≤ 56.21
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-phenylphenyl)-3H-imidazo[4,5-c]quinoline?
The IUPAC name of 7-bromo-2-(2-phenylphenyl)-3H-imidazo[4,5-c]quinoline (CID 57394267) is 7-bromo-2-(2-phenylphenyl)-3H-imidazo[4,5-c]quinoline.
What is the SMILES notation for 7-bromo-2-(2-phenylphenyl)-3H-imidazo[4,5-c]quinoline?
The canonical SMILES for 7-bromo-2-(2-phenylphenyl)-3H-imidazo[4,5-c]quinoline is Brc1ccc2c(c1)ncc1[nH]c(-c3ccccc3-c3ccccc3)nc12.
What is the InChIKey of 7-bromo-2-(2-phenylphenyl)-3H-imidazo[4,5-c]quinoline?
The InChIKey is PJTZQPFLWJJTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14BrN3/c23-15-10-11-18-19(12-15)24-13-20-21(18)26-22(25-20)17-9-5-4-8-16(17)14-6-2-1-3-7-14/h1-13H,(H,25,26).
What are the key properties of 7-bromo-2-(2-phenylphenyl)-3H-imidazo[4,5-c]quinoline?
7-bromo-2-(2-phenylphenyl)-3H-imidazo[4,5-c]quinoline has a molecular weight of 400.28 g/mol, XLogP of 6.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-(2-phenylphenyl)-3H-imidazo[4,5-c]quinoline is sourced from PubChem (CID 57394267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).