6-bromo-1H-imidazo[4,5-b]quinoline

C10H6BrN3 — CID 155362990

IUPAC6-bromo-1H-imidazo[4,5-b]quinoline
SMILESBrc1ccc2cc3[nH]cnc3nc2c1
InChIInChI=1S/C10H6BrN3/c11-7-2-1-6-3-9-10(13-5-12-9)14-8(6)4-7/h1-5H,(H,12,13,14)
InChIKeyQJVDTDQCKCNJPN-UHFFFAOYSA-N
MW248.08 g/mol
LogP2.87
Rot. Bonds

About 6-bromo-1H-imidazo[4,5-b]quinoline

6-bromo-1H-imidazo[4,5-b]quinoline (PubChem CID 155362990) has the molecular formula C10H6BrN3 and a molecular weight of 248.08 g/mol. Its IUPAC name is 6-bromo-1H-imidazo[4,5-b]quinoline.

Molecular Properties

Compound Name6-bromo-1H-imidazo[4,5-b]quinoline
PubChem CID155362990
Molecular FormulaC10H6BrN3
Molecular Weight248.08 g/mol
Exact Mass246.97
IUPAC Name6-bromo-1H-imidazo[4,5-b]quinoline
SMILESBrc1ccc2cc3[nH]cnc3nc2c1
InChIInChI=1S/C10H6BrN3/c11-7-2-1-6-3-9-10(13-5-12-9)14-8(6)4-7/h1-5H,(H,12,13,14)
InChIKeyQJVDTDQCKCNJPN-UHFFFAOYSA-N
XLogP2.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.08
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1H-imidazo[4,5-b]quinoline?
The IUPAC name of 6-bromo-1H-imidazo[4,5-b]quinoline (CID 155362990) is 6-bromo-1H-imidazo[4,5-b]quinoline.
What is the SMILES notation for 6-bromo-1H-imidazo[4,5-b]quinoline?
The canonical SMILES for 6-bromo-1H-imidazo[4,5-b]quinoline is Brc1ccc2cc3[nH]cnc3nc2c1.
What is the InChIKey of 6-bromo-1H-imidazo[4,5-b]quinoline?
The InChIKey is QJVDTDQCKCNJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrN3/c11-7-2-1-6-3-9-10(13-5-12-9)14-8(6)4-7/h1-5H,(H,12,13,14).
What are the key properties of 6-bromo-1H-imidazo[4,5-b]quinoline?
6-bromo-1H-imidazo[4,5-b]quinoline has a molecular weight of 248.08 g/mol, XLogP of 2.87, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1H-imidazo[4,5-b]quinoline is sourced from PubChem (CID 155362990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).