6-(hexan-2-ylamino)-1,4-dihydroquinoxaline-2,3-dione

C14H19N3O2 — CID 43786681

IUPAC6-(hexan-2-ylamino)-1,4-dihydroquinoxaline-2,3-dione
SMILESCCCCC(C)Nc1ccc2[nH]c(=O)c(=O)[nH]c2c1
InChIInChI=1S/C14H19N3O2/c1-3-4-5-9(2)15-10-6-7-11-12(8-10)17-14(19)13(18)16-11/h6-9,15H,3-5H2,1-2H3,(H,16,18)(H,17,19)
InChIKeySZIXXOWHSTYWFK-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.21
Rot. Bonds5

About 6-(hexan-2-ylamino)-1,4-dihydroquinoxaline-2,3-dione

6-(hexan-2-ylamino)-1,4-dihydroquinoxaline-2,3-dione (PubChem CID 43786681) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 6-(hexan-2-ylamino)-1,4-dihydroquinoxaline-2,3-dione.

Molecular Properties

Compound Name6-(hexan-2-ylamino)-1,4-dihydroquinoxaline-2,3-dione
PubChem CID43786681
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name6-(hexan-2-ylamino)-1,4-dihydroquinoxaline-2,3-dione
SMILESCCCCC(C)Nc1ccc2[nH]c(=O)c(=O)[nH]c2c1
InChIInChI=1S/C14H19N3O2/c1-3-4-5-9(2)15-10-6-7-11-12(8-10)17-14(19)13(18)16-11/h6-9,15H,3-5H2,1-2H3,(H,16,18)(H,17,19)
InChIKeySZIXXOWHSTYWFK-UHFFFAOYSA-N
XLogP2.21
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-(hexan-2-ylamino)-1,4-dihydroquinoxaline-2,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-Dihydroxyquinoxaline
CID 27491
6-Nitro-1,2,3,4-tetrahydroquinoxaline-2,3-dione
CID 4038142
4-Propanoyl-1,2,3,4-tetrahydroquinoxalin-2-one
CID 8551010
2-(3-Oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)-N-phenylacetamide
CID 2829724
1,4-Dimethylquinoxaline-2,3-dione
CID 351421
2(1H)-Quinoxalinone, 3,4-dihydro-
CID 185949
6-Aminoquinoxaline-2,3(1H,4H)-dione
CID 96030
1-Methyl-1,2,3,4-tetrahydroquinoxalin-2-one
CID 21297195
N-butyl-2-(3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)acetamide
CID 2873401
3,3-Dimethyl-1,2,3,4-tetrahydroquinoxalin-2-one
CID 595203
3-Methyl-3,4-dihydroquinoxalin-2(1H)-one
CID 2763642
N-(2-methylpropyl)-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide
CID 2971710

Frequently Asked Questions

What is the IUPAC name of 6-(hexan-2-ylamino)-1,4-dihydroquinoxaline-2,3-dione?
The IUPAC name of 6-(hexan-2-ylamino)-1,4-dihydroquinoxaline-2,3-dione (CID 43786681) is 6-(hexan-2-ylamino)-1,4-dihydroquinoxaline-2,3-dione.
What is the SMILES notation for 6-(hexan-2-ylamino)-1,4-dihydroquinoxaline-2,3-dione?
The canonical SMILES for 6-(hexan-2-ylamino)-1,4-dihydroquinoxaline-2,3-dione is CCCCC(C)Nc1ccc2[nH]c(=O)c(=O)[nH]c2c1.
What is the InChIKey of 6-(hexan-2-ylamino)-1,4-dihydroquinoxaline-2,3-dione?
The InChIKey is SZIXXOWHSTYWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-3-4-5-9(2)15-10-6-7-11-12(8-10)17-14(19)13(18)16-11/h6-9,15H,3-5H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of 6-(hexan-2-ylamino)-1,4-dihydroquinoxaline-2,3-dione?
6-(hexan-2-ylamino)-1,4-dihydroquinoxaline-2,3-dione has a molecular weight of 261.32 g/mol, XLogP of 2.21, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hexan-2-ylamino)-1,4-dihydroquinoxaline-2,3-dione is sourced from PubChem (CID 43786681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).