7-bromo-2-propan-2-yl-3H-imidazo[4,5-c]quinoline

C13H12BrN3 — CID 57401291

IUPAC7-bromo-2-propan-2-yl-3H-imidazo[4,5-c]quinoline
SMILESCC(C)c1nc2c(cnc3cc(Br)ccc32)[nH]1
InChIInChI=1S/C13H12BrN3/c1-7(2)13-16-11-6-15-10-5-8(14)3-4-9(10)12(11)17-13/h3-7H,1-2H3,(H,16,17)
InChIKeyLUQCDAPHOJGWCM-UHFFFAOYSA-N
MW290.16 g/mol
LogP4.00
Rot. Bonds1

About 7-bromo-2-propan-2-yl-3H-imidazo[4,5-c]quinoline

7-bromo-2-propan-2-yl-3H-imidazo[4,5-c]quinoline (PubChem CID 57401291) has the molecular formula C13H12BrN3 and a molecular weight of 290.16 g/mol. Its IUPAC name is 7-bromo-2-propan-2-yl-3H-imidazo[4,5-c]quinoline.

Molecular Properties

Compound Name7-bromo-2-propan-2-yl-3H-imidazo[4,5-c]quinoline
PubChem CID57401291
Molecular FormulaC13H12BrN3
Molecular Weight290.16 g/mol
Exact Mass289.02
IUPAC Name7-bromo-2-propan-2-yl-3H-imidazo[4,5-c]quinoline
SMILESCC(C)c1nc2c(cnc3cc(Br)ccc32)[nH]1
InChIInChI=1S/C13H12BrN3/c1-7(2)13-16-11-6-15-10-5-8(14)3-4-9(10)12(11)17-13/h3-7H,1-2H3,(H,16,17)
InChIKeyLUQCDAPHOJGWCM-UHFFFAOYSA-N
XLogP4.00
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.16
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-propan-2-yl-3H-imidazo[4,5-c]quinoline?
The IUPAC name of 7-bromo-2-propan-2-yl-3H-imidazo[4,5-c]quinoline (CID 57401291) is 7-bromo-2-propan-2-yl-3H-imidazo[4,5-c]quinoline.
What is the SMILES notation for 7-bromo-2-propan-2-yl-3H-imidazo[4,5-c]quinoline?
The canonical SMILES for 7-bromo-2-propan-2-yl-3H-imidazo[4,5-c]quinoline is CC(C)c1nc2c(cnc3cc(Br)ccc32)[nH]1.
What is the InChIKey of 7-bromo-2-propan-2-yl-3H-imidazo[4,5-c]quinoline?
The InChIKey is LUQCDAPHOJGWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3/c1-7(2)13-16-11-6-15-10-5-8(14)3-4-9(10)12(11)17-13/h3-7H,1-2H3,(H,16,17).
What are the key properties of 7-bromo-2-propan-2-yl-3H-imidazo[4,5-c]quinoline?
7-bromo-2-propan-2-yl-3H-imidazo[4,5-c]quinoline has a molecular weight of 290.16 g/mol, XLogP of 4.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-propan-2-yl-3H-imidazo[4,5-c]quinoline is sourced from PubChem (CID 57401291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).