1-[2-(cyclohexylamino)ethyl]quinoxalin-2-one

C16H21N3O — CID 62562469

IUPAC1-[2-(cyclohexylamino)ethyl]quinoxalin-2-one
SMILESO=c1cnc2ccccc2n1CCNC1CCCCC1
InChIInChI=1S/C16H21N3O/c20-16-12-18-14-8-4-5-9-15(14)19(16)11-10-17-13-6-2-1-3-7-13/h4-5,8-9,12-13,17H,1-3,6-7,10-11H2
InChIKeyWFKUDSJJRLBNAW-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.32
Rot. Bonds4

About 1-[2-(cyclohexylamino)ethyl]quinoxalin-2-one

1-[2-(cyclohexylamino)ethyl]quinoxalin-2-one (PubChem CID 62562469) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-[2-(cyclohexylamino)ethyl]quinoxalin-2-one.

Molecular Properties

Compound Name1-[2-(cyclohexylamino)ethyl]quinoxalin-2-one
PubChem CID62562469
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name1-[2-(cyclohexylamino)ethyl]quinoxalin-2-one
SMILESO=c1cnc2ccccc2n1CCNC1CCCCC1
InChIInChI=1S/C16H21N3O/c20-16-12-18-14-8-4-5-9-15(14)19(16)11-10-17-13-6-2-1-3-7-13/h4-5,8-9,12-13,17H,1-3,6-7,10-11H2
InChIKeyWFKUDSJJRLBNAW-UHFFFAOYSA-N
XLogP2.32
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclohexylamino)ethyl]quinoxalin-2-one?
The IUPAC name of 1-[2-(cyclohexylamino)ethyl]quinoxalin-2-one (CID 62562469) is 1-[2-(cyclohexylamino)ethyl]quinoxalin-2-one.
What is the SMILES notation for 1-[2-(cyclohexylamino)ethyl]quinoxalin-2-one?
The canonical SMILES for 1-[2-(cyclohexylamino)ethyl]quinoxalin-2-one is O=c1cnc2ccccc2n1CCNC1CCCCC1.
What is the InChIKey of 1-[2-(cyclohexylamino)ethyl]quinoxalin-2-one?
The InChIKey is WFKUDSJJRLBNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c20-16-12-18-14-8-4-5-9-15(14)19(16)11-10-17-13-6-2-1-3-7-13/h4-5,8-9,12-13,17H,1-3,6-7,10-11H2.
What are the key properties of 1-[2-(cyclohexylamino)ethyl]quinoxalin-2-one?
1-[2-(cyclohexylamino)ethyl]quinoxalin-2-one has a molecular weight of 271.36 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclohexylamino)ethyl]quinoxalin-2-one is sourced from PubChem (CID 62562469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).