6-bromo-2-(1-methylimidazol-2-yl)quinolin-4-amine

C13H11BrN4 — CID 10780737

IUPAC6-bromo-2-(1-methylimidazol-2-yl)quinolin-4-amine
SMILESCn1ccnc1-c1cc(N)c2cc(Br)ccc2n1
InChIInChI=1S/C13H11BrN4/c1-18-5-4-16-13(18)12-7-10(15)9-6-8(14)2-3-11(9)17-12/h2-7H,1H3,(H2,15,17)
InChIKeyMEHASEWBRPUUIN-UHFFFAOYSA-N
MW303.16 g/mol
LogP2.98
Rot. Bonds1

About 6-bromo-2-(1-methylimidazol-2-yl)quinolin-4-amine

6-bromo-2-(1-methylimidazol-2-yl)quinolin-4-amine (PubChem CID 10780737) has the molecular formula C13H11BrN4 and a molecular weight of 303.16 g/mol. Its IUPAC name is 6-bromo-2-(1-methylimidazol-2-yl)quinolin-4-amine.

Molecular Properties

Compound Name6-bromo-2-(1-methylimidazol-2-yl)quinolin-4-amine
PubChem CID10780737
Molecular FormulaC13H11BrN4
Molecular Weight303.16 g/mol
Exact Mass302.02
IUPAC Name6-bromo-2-(1-methylimidazol-2-yl)quinolin-4-amine
SMILESCn1ccnc1-c1cc(N)c2cc(Br)ccc2n1
InChIInChI=1S/C13H11BrN4/c1-18-5-4-16-13(18)12-7-10(15)9-6-8(14)2-3-11(9)17-12/h2-7H,1H3,(H2,15,17)
InChIKeyMEHASEWBRPUUIN-UHFFFAOYSA-N
XLogP2.98
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(1-methylimidazol-2-yl)quinolin-4-amine?
The IUPAC name of 6-bromo-2-(1-methylimidazol-2-yl)quinolin-4-amine (CID 10780737) is 6-bromo-2-(1-methylimidazol-2-yl)quinolin-4-amine.
What is the SMILES notation for 6-bromo-2-(1-methylimidazol-2-yl)quinolin-4-amine?
The canonical SMILES for 6-bromo-2-(1-methylimidazol-2-yl)quinolin-4-amine is Cn1ccnc1-c1cc(N)c2cc(Br)ccc2n1.
What is the InChIKey of 6-bromo-2-(1-methylimidazol-2-yl)quinolin-4-amine?
The InChIKey is MEHASEWBRPUUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN4/c1-18-5-4-16-13(18)12-7-10(15)9-6-8(14)2-3-11(9)17-12/h2-7H,1H3,(H2,15,17).
What are the key properties of 6-bromo-2-(1-methylimidazol-2-yl)quinolin-4-amine?
6-bromo-2-(1-methylimidazol-2-yl)quinolin-4-amine has a molecular weight of 303.16 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(1-methylimidazol-2-yl)quinolin-4-amine is sourced from PubChem (CID 10780737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).