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

C14H16N2O2 — CID 146165681

IUPAC3-(1-hydroxycyclopentyl)-1-methylquinoxalin-2-one
SMILESCn1c(=O)c(C2(O)CCCC2)nc2ccccc21
InChIInChI=1S/C14H16N2O2/c1-16-11-7-3-2-6-10(11)15-12(13(16)17)14(18)8-4-5-9-14/h2-3,6-7,18H,4-5,8-9H2,1H3
InChIKeyQKIOCOLEJUJKGK-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.70
Rot. Bonds1

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

3-(1-hydroxycyclopentyl)-1-methylquinoxalin-2-one (PubChem CID 146165681) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 3-(1-hydroxycyclopentyl)-1-methylquinoxalin-2-one.

Molecular Properties

Compound Name3-(1-hydroxycyclopentyl)-1-methylquinoxalin-2-one
PubChem CID146165681
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name3-(1-hydroxycyclopentyl)-1-methylquinoxalin-2-one
SMILESCn1c(=O)c(C2(O)CCCC2)nc2ccccc21
InChIInChI=1S/C14H16N2O2/c1-16-11-7-3-2-6-10(11)15-12(13(16)17)14(18)8-4-5-9-14/h2-3,6-7,18H,4-5,8-9H2,1H3
InChIKeyQKIOCOLEJUJKGK-UHFFFAOYSA-N
XLogP1.70
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-hydroxycyclopentyl)-1-methylquinoxalin-2-one?
The IUPAC name of 3-(1-hydroxycyclopentyl)-1-methylquinoxalin-2-one (CID 146165681) is 3-(1-hydroxycyclopentyl)-1-methylquinoxalin-2-one.
What is the SMILES notation for 3-(1-hydroxycyclopentyl)-1-methylquinoxalin-2-one?
The canonical SMILES for 3-(1-hydroxycyclopentyl)-1-methylquinoxalin-2-one is Cn1c(=O)c(C2(O)CCCC2)nc2ccccc21.
What is the InChIKey of 3-(1-hydroxycyclopentyl)-1-methylquinoxalin-2-one?
The InChIKey is QKIOCOLEJUJKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-16-11-7-3-2-6-10(11)15-12(13(16)17)14(18)8-4-5-9-14/h2-3,6-7,18H,4-5,8-9H2,1H3.
What are the key properties of 3-(1-hydroxycyclopentyl)-1-methylquinoxalin-2-one?
3-(1-hydroxycyclopentyl)-1-methylquinoxalin-2-one has a molecular weight of 244.29 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxycyclopentyl)-1-methylquinoxalin-2-one is sourced from PubChem (CID 146165681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).