3-[cyclohexyl(methyl)amino]-1H-quinoxalin-2-one

C15H19N3O — CID 2409060

IUPAC3-[cyclohexyl(methyl)amino]-1H-quinoxalin-2-one
SMILESCN(c1nc2ccccc2[nH]c1=O)C1CCCCC1
InChIInChI=1S/C15H19N3O/c1-18(11-7-3-2-4-8-11)14-15(19)17-13-10-6-5-9-12(13)16-14/h5-6,9-11H,2-4,7-8H2,1H3,(H,17,19)
InChIKeyIRUJTZHYYSWTAZ-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.69
Rot. Bonds2

About 3-[cyclohexyl(methyl)amino]-1H-quinoxalin-2-one

3-[cyclohexyl(methyl)amino]-1H-quinoxalin-2-one (PubChem CID 2409060) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 3-[cyclohexyl(methyl)amino]-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-[cyclohexyl(methyl)amino]-1H-quinoxalin-2-one
PubChem CID2409060
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name3-[cyclohexyl(methyl)amino]-1H-quinoxalin-2-one
SMILESCN(c1nc2ccccc2[nH]c1=O)C1CCCCC1
InChIInChI=1S/C15H19N3O/c1-18(11-7-3-2-4-8-11)14-15(19)17-13-10-6-5-9-12(13)16-14/h5-6,9-11H,2-4,7-8H2,1H3,(H,17,19)
InChIKeyIRUJTZHYYSWTAZ-UHFFFAOYSA-N
XLogP2.69
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 44403045
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CID 179341
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CID 654601
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CID 665072
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CID 1471092
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Frequently Asked Questions

What is the IUPAC name of 3-[cyclohexyl(methyl)amino]-1H-quinoxalin-2-one?
The IUPAC name of 3-[cyclohexyl(methyl)amino]-1H-quinoxalin-2-one (CID 2409060) is 3-[cyclohexyl(methyl)amino]-1H-quinoxalin-2-one.
What is the SMILES notation for 3-[cyclohexyl(methyl)amino]-1H-quinoxalin-2-one?
The canonical SMILES for 3-[cyclohexyl(methyl)amino]-1H-quinoxalin-2-one is CN(c1nc2ccccc2[nH]c1=O)C1CCCCC1.
What is the InChIKey of 3-[cyclohexyl(methyl)amino]-1H-quinoxalin-2-one?
The InChIKey is IRUJTZHYYSWTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-18(11-7-3-2-4-8-11)14-15(19)17-13-10-6-5-9-12(13)16-14/h5-6,9-11H,2-4,7-8H2,1H3,(H,17,19).
What are the key properties of 3-[cyclohexyl(methyl)amino]-1H-quinoxalin-2-one?
3-[cyclohexyl(methyl)amino]-1H-quinoxalin-2-one has a molecular weight of 257.34 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclohexyl(methyl)amino]-1H-quinoxalin-2-one is sourced from PubChem (CID 2409060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).