8-bromo-1-(4-methoxycyclohexyl)-3H-imidazo[4,5-c]quinolin-2-one

C17H18BrN3O2 — CID 129120488

IUPAC8-bromo-1-(4-methoxycyclohexyl)-3H-imidazo[4,5-c]quinolin-2-one
SMILESCOC1CCC(n2c(=O)[nH]c3cnc4ccc(Br)cc4c32)CC1
InChIInChI=1S/C17H18BrN3O2/c1-23-12-5-3-11(4-6-12)21-16-13-8-10(18)2-7-14(13)19-9-15(16)20-17(21)22/h2,7-9,11-12H,3-6H2,1H3,(H,20,22)
InChIKeyRFVQSBJEXMTNKY-UHFFFAOYSA-N
MW376.25 g/mol
LogP3.77
Rot. Bonds2

About 8-bromo-1-(4-methoxycyclohexyl)-3H-imidazo[4,5-c]quinolin-2-one

8-bromo-1-(4-methoxycyclohexyl)-3H-imidazo[4,5-c]quinolin-2-one (PubChem CID 129120488) has the molecular formula C17H18BrN3O2 and a molecular weight of 376.25 g/mol. Its IUPAC name is 8-bromo-1-(4-methoxycyclohexyl)-3H-imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name8-bromo-1-(4-methoxycyclohexyl)-3H-imidazo[4,5-c]quinolin-2-one
PubChem CID129120488
Molecular FormulaC17H18BrN3O2
Molecular Weight376.25 g/mol
Exact Mass375.06
IUPAC Name8-bromo-1-(4-methoxycyclohexyl)-3H-imidazo[4,5-c]quinolin-2-one
SMILESCOC1CCC(n2c(=O)[nH]c3cnc4ccc(Br)cc4c32)CC1
InChIInChI=1S/C17H18BrN3O2/c1-23-12-5-3-11(4-6-12)21-16-13-8-10(18)2-7-14(13)19-9-15(16)20-17(21)22/h2,7-9,11-12H,3-6H2,1H3,(H,20,22)
InChIKeyRFVQSBJEXMTNKY-UHFFFAOYSA-N
XLogP3.77
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.25
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-1-(4-methoxycyclohexyl)-3H-imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 8-bromo-1-(4-methoxycyclohexyl)-3H-imidazo[4,5-c]quinolin-2-one (CID 129120488) is 8-bromo-1-(4-methoxycyclohexyl)-3H-imidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 8-bromo-1-(4-methoxycyclohexyl)-3H-imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 8-bromo-1-(4-methoxycyclohexyl)-3H-imidazo[4,5-c]quinolin-2-one is COC1CCC(n2c(=O)[nH]c3cnc4ccc(Br)cc4c32)CC1.
What is the InChIKey of 8-bromo-1-(4-methoxycyclohexyl)-3H-imidazo[4,5-c]quinolin-2-one?
The InChIKey is RFVQSBJEXMTNKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN3O2/c1-23-12-5-3-11(4-6-12)21-16-13-8-10(18)2-7-14(13)19-9-15(16)20-17(21)22/h2,7-9,11-12H,3-6H2,1H3,(H,20,22).
What are the key properties of 8-bromo-1-(4-methoxycyclohexyl)-3H-imidazo[4,5-c]quinolin-2-one?
8-bromo-1-(4-methoxycyclohexyl)-3H-imidazo[4,5-c]quinolin-2-one has a molecular weight of 376.25 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-1-(4-methoxycyclohexyl)-3H-imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 129120488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).