7-bromo-2-(2-chlorophenyl)-N-methyl-3H-imidazo[4,5-c]quinolin-4-amine

C17H12BrClN4 — CID 71583873

IUPAC7-bromo-2-(2-chlorophenyl)-N-methyl-3H-imidazo[4,5-c]quinolin-4-amine
SMILESCNc1nc2cc(Br)ccc2c2nc(-c3ccccc3Cl)[nH]c12
InChIInChI=1S/C17H12BrClN4/c1-20-17-15-14(11-7-6-9(18)8-13(11)21-17)22-16(23-15)10-4-2-3-5-12(10)19/h2-8H,1H3,(H,20,21)(H,22,23)
InChIKeyXWEKXYBDQSPVPR-UHFFFAOYSA-N
MW387.67 g/mol
LogP5.24
Rot. Bonds2

About 7-bromo-2-(2-chlorophenyl)-N-methyl-3H-imidazo[4,5-c]quinolin-4-amine

7-bromo-2-(2-chlorophenyl)-N-methyl-3H-imidazo[4,5-c]quinolin-4-amine (PubChem CID 71583873) has the molecular formula C17H12BrClN4 and a molecular weight of 387.67 g/mol. Its IUPAC name is 7-bromo-2-(2-chlorophenyl)-N-methyl-3H-imidazo[4,5-c]quinolin-4-amine.

Molecular Properties

Compound Name7-bromo-2-(2-chlorophenyl)-N-methyl-3H-imidazo[4,5-c]quinolin-4-amine
PubChem CID71583873
Molecular FormulaC17H12BrClN4
Molecular Weight387.67 g/mol
Exact Mass385.99
IUPAC Name7-bromo-2-(2-chlorophenyl)-N-methyl-3H-imidazo[4,5-c]quinolin-4-amine
SMILESCNc1nc2cc(Br)ccc2c2nc(-c3ccccc3Cl)[nH]c12
InChIInChI=1S/C17H12BrClN4/c1-20-17-15-14(11-7-6-9(18)8-13(11)21-17)22-16(23-15)10-4-2-3-5-12(10)19/h2-8H,1H3,(H,20,21)(H,22,23)
InChIKeyXWEKXYBDQSPVPR-UHFFFAOYSA-N
XLogP5.24
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.67
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-(2-chlorophenyl)-N-methyl-3H-imidazo[4,5-c]quinolin-4-amine?
The IUPAC name of 7-bromo-2-(2-chlorophenyl)-N-methyl-3H-imidazo[4,5-c]quinolin-4-amine (CID 71583873) is 7-bromo-2-(2-chlorophenyl)-N-methyl-3H-imidazo[4,5-c]quinolin-4-amine.
What is the SMILES notation for 7-bromo-2-(2-chlorophenyl)-N-methyl-3H-imidazo[4,5-c]quinolin-4-amine?
The canonical SMILES for 7-bromo-2-(2-chlorophenyl)-N-methyl-3H-imidazo[4,5-c]quinolin-4-amine is CNc1nc2cc(Br)ccc2c2nc(-c3ccccc3Cl)[nH]c12.
What is the InChIKey of 7-bromo-2-(2-chlorophenyl)-N-methyl-3H-imidazo[4,5-c]quinolin-4-amine?
The InChIKey is XWEKXYBDQSPVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrClN4/c1-20-17-15-14(11-7-6-9(18)8-13(11)21-17)22-16(23-15)10-4-2-3-5-12(10)19/h2-8H,1H3,(H,20,21)(H,22,23).
What are the key properties of 7-bromo-2-(2-chlorophenyl)-N-methyl-3H-imidazo[4,5-c]quinolin-4-amine?
7-bromo-2-(2-chlorophenyl)-N-methyl-3H-imidazo[4,5-c]quinolin-4-amine has a molecular weight of 387.67 g/mol, XLogP of 5.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-(2-chlorophenyl)-N-methyl-3H-imidazo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 71583873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).