6-[(2,3-dimethylcyclohexyl)amino]-1,4-dihydroquinoxaline-2,3-dione

C16H21N3O2 — CID 64761439

IUPAC6-[(2,3-dimethylcyclohexyl)amino]-1,4-dihydroquinoxaline-2,3-dione
SMILESCC1CCCC(Nc2ccc3[nH]c(=O)c(=O)[nH]c3c2)C1C
InChIInChI=1S/C16H21N3O2/c1-9-4-3-5-12(10(9)2)17-11-6-7-13-14(8-11)19-16(21)15(20)18-13/h6-10,12,17H,3-5H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyUKAKYKFWVJTIQM-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.45
Rot. Bonds2

About 6-[(2,3-dimethylcyclohexyl)amino]-1,4-dihydroquinoxaline-2,3-dione

6-[(2,3-dimethylcyclohexyl)amino]-1,4-dihydroquinoxaline-2,3-dione (PubChem CID 64761439) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 6-[(2,3-dimethylcyclohexyl)amino]-1,4-dihydroquinoxaline-2,3-dione.

Molecular Properties

Compound Name6-[(2,3-dimethylcyclohexyl)amino]-1,4-dihydroquinoxaline-2,3-dione
PubChem CID64761439
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name6-[(2,3-dimethylcyclohexyl)amino]-1,4-dihydroquinoxaline-2,3-dione
SMILESCC1CCCC(Nc2ccc3[nH]c(=O)c(=O)[nH]c3c2)C1C
InChIInChI=1S/C16H21N3O2/c1-9-4-3-5-12(10(9)2)17-11-6-7-13-14(8-11)19-16(21)15(20)18-13/h6-10,12,17H,3-5H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyUKAKYKFWVJTIQM-UHFFFAOYSA-N
XLogP2.45
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(cyclopentylamino)-1,4-dihydroquinoxaline-2,3-dione
CID 43723406
6-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-1,4-dihydroquinoxaline-2,3-dione
CID 82824593
N-(2,3-dimethylcyclohexyl)-1H-indol-5-amine
CID 64775773
6-[(2,3-dimethylcyclohexyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 64760457
N-(2,3-dimethylcyclohexyl)-3,4-difluoroaniline
CID 64776370
5-[(2-methylcyclopentyl)amino]-3H-1,3-benzoxazol-2-one
CID 65044585
6-bromo-N-(2,3-dimethylcyclohexyl)naphthalen-2-amine
CID 81260243
2-chloro-5-[(2,3-dimethylcyclohexyl)amino]benzoic acid
CID 64761654
5-[[(1S,2R)-2-methylcyclohexyl]amino]-3H-1,3-benzoxazol-2-one
CID 93275329
1-[3-[(2,3-dimethylcyclohexyl)amino]phenyl]pyrrolidin-2-one
CID 64775979
3-bromo-N-(2,3-dimethylcyclohexyl)-4-nitroaniline
CID 82862272
1-N-(2,3-dimethylcyclohexyl)-4-nitrobenzene-1,3-diamine
CID 106748927

Frequently Asked Questions

What is the IUPAC name of 6-[(2,3-dimethylcyclohexyl)amino]-1,4-dihydroquinoxaline-2,3-dione?
The IUPAC name of 6-[(2,3-dimethylcyclohexyl)amino]-1,4-dihydroquinoxaline-2,3-dione (CID 64761439) is 6-[(2,3-dimethylcyclohexyl)amino]-1,4-dihydroquinoxaline-2,3-dione.
What is the SMILES notation for 6-[(2,3-dimethylcyclohexyl)amino]-1,4-dihydroquinoxaline-2,3-dione?
The canonical SMILES for 6-[(2,3-dimethylcyclohexyl)amino]-1,4-dihydroquinoxaline-2,3-dione is CC1CCCC(Nc2ccc3[nH]c(=O)c(=O)[nH]c3c2)C1C.
What is the InChIKey of 6-[(2,3-dimethylcyclohexyl)amino]-1,4-dihydroquinoxaline-2,3-dione?
The InChIKey is UKAKYKFWVJTIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-9-4-3-5-12(10(9)2)17-11-6-7-13-14(8-11)19-16(21)15(20)18-13/h6-10,12,17H,3-5H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of 6-[(2,3-dimethylcyclohexyl)amino]-1,4-dihydroquinoxaline-2,3-dione?
6-[(2,3-dimethylcyclohexyl)amino]-1,4-dihydroquinoxaline-2,3-dione has a molecular weight of 287.36 g/mol, XLogP of 2.45, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,3-dimethylcyclohexyl)amino]-1,4-dihydroquinoxaline-2,3-dione is sourced from PubChem (CID 64761439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).