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

C16H16BrN3O2 — CID 118101682

IUPAC8-bromo-1-(4-hydroxycyclohexyl)-3H-imidazo[4,5-c]quinolin-2-one
SMILESO=c1[nH]c2cnc3ccc(Br)cc3c2n1C1CCC(O)CC1
InChIInChI=1S/C16H16BrN3O2/c17-9-1-6-13-12(7-9)15-14(8-18-13)19-16(22)20(15)10-2-4-11(21)5-3-10/h1,6-8,10-11,21H,2-5H2,(H,19,22)
InChIKeyFNJLERZELBJJPM-UHFFFAOYSA-N
MW362.23 g/mol
LogP3.12
Rot. Bonds1

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

8-bromo-1-(4-hydroxycyclohexyl)-3H-imidazo[4,5-c]quinolin-2-one (PubChem CID 118101682) has the molecular formula C16H16BrN3O2 and a molecular weight of 362.23 g/mol. Its IUPAC name is 8-bromo-1-(4-hydroxycyclohexyl)-3H-imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name8-bromo-1-(4-hydroxycyclohexyl)-3H-imidazo[4,5-c]quinolin-2-one
PubChem CID118101682
Molecular FormulaC16H16BrN3O2
Molecular Weight362.23 g/mol
Exact Mass361.04
IUPAC Name8-bromo-1-(4-hydroxycyclohexyl)-3H-imidazo[4,5-c]quinolin-2-one
SMILESO=c1[nH]c2cnc3ccc(Br)cc3c2n1C1CCC(O)CC1
InChIInChI=1S/C16H16BrN3O2/c17-9-1-6-13-12(7-9)15-14(8-18-13)19-16(22)20(15)10-2-4-11(21)5-3-10/h1,6-8,10-11,21H,2-5H2,(H,19,22)
InChIKeyFNJLERZELBJJPM-UHFFFAOYSA-N
XLogP3.12
TPSA70.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.23
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-1-(4-hydroxycyclohexyl)-3H-imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 8-bromo-1-(4-hydroxycyclohexyl)-3H-imidazo[4,5-c]quinolin-2-one (CID 118101682) is 8-bromo-1-(4-hydroxycyclohexyl)-3H-imidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 8-bromo-1-(4-hydroxycyclohexyl)-3H-imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 8-bromo-1-(4-hydroxycyclohexyl)-3H-imidazo[4,5-c]quinolin-2-one is O=c1[nH]c2cnc3ccc(Br)cc3c2n1C1CCC(O)CC1.
What is the InChIKey of 8-bromo-1-(4-hydroxycyclohexyl)-3H-imidazo[4,5-c]quinolin-2-one?
The InChIKey is FNJLERZELBJJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3O2/c17-9-1-6-13-12(7-9)15-14(8-18-13)19-16(22)20(15)10-2-4-11(21)5-3-10/h1,6-8,10-11,21H,2-5H2,(H,19,22).
What are the key properties of 8-bromo-1-(4-hydroxycyclohexyl)-3H-imidazo[4,5-c]quinolin-2-one?
8-bromo-1-(4-hydroxycyclohexyl)-3H-imidazo[4,5-c]quinolin-2-one has a molecular weight of 362.23 g/mol, XLogP of 3.12, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-1-(4-hydroxycyclohexyl)-3H-imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 118101682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).