3-(1-hydroxycyclohexyl)-1-methylquinoxalin-2-one

C15H18N2O2 — CID 146165798

IUPAC3-(1-hydroxycyclohexyl)-1-methylquinoxalin-2-one
SMILESCn1c(=O)c(C2(O)CCCCC2)nc2ccccc21
InChIInChI=1S/C15H18N2O2/c1-17-12-8-4-3-7-11(12)16-13(14(17)18)15(19)9-5-2-6-10-15/h3-4,7-8,19H,2,5-6,9-10H2,1H3
InChIKeyMTJZPCFXKBFBQX-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.09
Rot. Bonds1

About 3-(1-hydroxycyclohexyl)-1-methylquinoxalin-2-one

3-(1-hydroxycyclohexyl)-1-methylquinoxalin-2-one (PubChem CID 146165798) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-(1-hydroxycyclohexyl)-1-methylquinoxalin-2-one.

Molecular Properties

Compound Name3-(1-hydroxycyclohexyl)-1-methylquinoxalin-2-one
PubChem CID146165798
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name3-(1-hydroxycyclohexyl)-1-methylquinoxalin-2-one
SMILESCn1c(=O)c(C2(O)CCCCC2)nc2ccccc21
InChIInChI=1S/C15H18N2O2/c1-17-12-8-4-3-7-11(12)16-13(14(17)18)15(19)9-5-2-6-10-15/h3-4,7-8,19H,2,5-6,9-10H2,1H3
InChIKeyMTJZPCFXKBFBQX-UHFFFAOYSA-N
XLogP2.09
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-hydroxycyclohexyl)-1-methylquinoxalin-2-one?
The IUPAC name of 3-(1-hydroxycyclohexyl)-1-methylquinoxalin-2-one (CID 146165798) is 3-(1-hydroxycyclohexyl)-1-methylquinoxalin-2-one.
What is the SMILES notation for 3-(1-hydroxycyclohexyl)-1-methylquinoxalin-2-one?
The canonical SMILES for 3-(1-hydroxycyclohexyl)-1-methylquinoxalin-2-one is Cn1c(=O)c(C2(O)CCCCC2)nc2ccccc21.
What is the InChIKey of 3-(1-hydroxycyclohexyl)-1-methylquinoxalin-2-one?
The InChIKey is MTJZPCFXKBFBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-17-12-8-4-3-7-11(12)16-13(14(17)18)15(19)9-5-2-6-10-15/h3-4,7-8,19H,2,5-6,9-10H2,1H3.
What are the key properties of 3-(1-hydroxycyclohexyl)-1-methylquinoxalin-2-one?
3-(1-hydroxycyclohexyl)-1-methylquinoxalin-2-one has a molecular weight of 258.32 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxycyclohexyl)-1-methylquinoxalin-2-one is sourced from PubChem (CID 146165798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).