6-(dodecylamino)-1H-quinoxalin-2-one

C20H31N3O — CID 141254656

IUPAC6-(dodecylamino)-1H-quinoxalin-2-one
SMILESCCCCCCCCCCCCNc1ccc2[nH]c(=O)cnc2c1
InChIInChI=1S/C20H31N3O/c1-2-3-4-5-6-7-8-9-10-11-14-21-17-12-13-18-19(15-17)22-16-20(24)23-18/h12-13,15-16,21H,2-11,14H2,1H3,(H,23,24)
InChIKeyAGYQPFXSRMCAKE-UHFFFAOYSA-N
MW329.49 g/mol
LogP5.26
Rot. Bonds12

About 6-(dodecylamino)-1H-quinoxalin-2-one

6-(dodecylamino)-1H-quinoxalin-2-one (PubChem CID 141254656) has the molecular formula C20H31N3O and a molecular weight of 329.49 g/mol. Its IUPAC name is 6-(dodecylamino)-1H-quinoxalin-2-one.

Molecular Properties

Compound Name6-(dodecylamino)-1H-quinoxalin-2-one
PubChem CID141254656
Molecular FormulaC20H31N3O
Molecular Weight329.49 g/mol
Exact Mass329.25
IUPAC Name6-(dodecylamino)-1H-quinoxalin-2-one
SMILESCCCCCCCCCCCCNc1ccc2[nH]c(=O)cnc2c1
InChIInChI=1S/C20H31N3O/c1-2-3-4-5-6-7-8-9-10-11-14-21-17-12-13-18-19(15-17)22-16-20(24)23-18/h12-13,15-16,21H,2-11,14H2,1H3,(H,23,24)
InChIKeyAGYQPFXSRMCAKE-UHFFFAOYSA-N
XLogP5.26
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.49
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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4-(hexylamino)-2-methyl-1H-pyrimidin-6-one
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3-methyl-7-(octadecylamino)-1H-quinazoline-2,4-dione
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CID 63488478
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CID 12796089
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Frequently Asked Questions

What is the IUPAC name of 6-(dodecylamino)-1H-quinoxalin-2-one?
The IUPAC name of 6-(dodecylamino)-1H-quinoxalin-2-one (CID 141254656) is 6-(dodecylamino)-1H-quinoxalin-2-one.
What is the SMILES notation for 6-(dodecylamino)-1H-quinoxalin-2-one?
The canonical SMILES for 6-(dodecylamino)-1H-quinoxalin-2-one is CCCCCCCCCCCCNc1ccc2[nH]c(=O)cnc2c1.
What is the InChIKey of 6-(dodecylamino)-1H-quinoxalin-2-one?
The InChIKey is AGYQPFXSRMCAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O/c1-2-3-4-5-6-7-8-9-10-11-14-21-17-12-13-18-19(15-17)22-16-20(24)23-18/h12-13,15-16,21H,2-11,14H2,1H3,(H,23,24).
What are the key properties of 6-(dodecylamino)-1H-quinoxalin-2-one?
6-(dodecylamino)-1H-quinoxalin-2-one has a molecular weight of 329.49 g/mol, XLogP of 5.26, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dodecylamino)-1H-quinoxalin-2-one is sourced from PubChem (CID 141254656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).