1-[(3-cyclohexylimidazol-4-yl)methyl]quinoxalin-2-one

C18H20N4O — CID 72898856

IUPAC1-[(3-cyclohexylimidazol-4-yl)methyl]quinoxalin-2-one
SMILESO=c1cnc2ccccc2n1Cc1cncn1C1CCCCC1
InChIInChI=1S/C18H20N4O/c23-18-11-20-16-8-4-5-9-17(16)21(18)12-15-10-19-13-22(15)14-6-2-1-3-7-14/h4-5,8-11,13-14H,1-3,6-7,12H2
InChIKeyHDPZJBWKDHASHV-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.15
Rot. Bonds3

About 1-[(3-cyclohexylimidazol-4-yl)methyl]quinoxalin-2-one

1-[(3-cyclohexylimidazol-4-yl)methyl]quinoxalin-2-one (PubChem CID 72898856) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is 1-[(3-cyclohexylimidazol-4-yl)methyl]quinoxalin-2-one.

Molecular Properties

Compound Name1-[(3-cyclohexylimidazol-4-yl)methyl]quinoxalin-2-one
PubChem CID72898856
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC Name1-[(3-cyclohexylimidazol-4-yl)methyl]quinoxalin-2-one
SMILESO=c1cnc2ccccc2n1Cc1cncn1C1CCCCC1
InChIInChI=1S/C18H20N4O/c23-18-11-20-16-8-4-5-9-17(16)21(18)12-15-10-19-13-22(15)14-6-2-1-3-7-14/h4-5,8-11,13-14H,1-3,6-7,12H2
InChIKeyHDPZJBWKDHASHV-UHFFFAOYSA-N
XLogP3.15
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-cyclohexylimidazol-4-yl)methyl]quinoxalin-2-one?
The IUPAC name of 1-[(3-cyclohexylimidazol-4-yl)methyl]quinoxalin-2-one (CID 72898856) is 1-[(3-cyclohexylimidazol-4-yl)methyl]quinoxalin-2-one.
What is the SMILES notation for 1-[(3-cyclohexylimidazol-4-yl)methyl]quinoxalin-2-one?
The canonical SMILES for 1-[(3-cyclohexylimidazol-4-yl)methyl]quinoxalin-2-one is O=c1cnc2ccccc2n1Cc1cncn1C1CCCCC1.
What is the InChIKey of 1-[(3-cyclohexylimidazol-4-yl)methyl]quinoxalin-2-one?
The InChIKey is HDPZJBWKDHASHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c23-18-11-20-16-8-4-5-9-17(16)21(18)12-15-10-19-13-22(15)14-6-2-1-3-7-14/h4-5,8-11,13-14H,1-3,6-7,12H2.
What are the key properties of 1-[(3-cyclohexylimidazol-4-yl)methyl]quinoxalin-2-one?
1-[(3-cyclohexylimidazol-4-yl)methyl]quinoxalin-2-one has a molecular weight of 308.38 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-cyclohexylimidazol-4-yl)methyl]quinoxalin-2-one is sourced from PubChem (CID 72898856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).