1,2,3,4-tetrahydroquinoxalin-6-yl-(3,4,5-trimethylpiperazin-1-yl)methanone

C16H24N4O — CID 114537100

IUPAC1,2,3,4-tetrahydroquinoxalin-6-yl-(3,4,5-trimethylpiperazin-1-yl)methanone
SMILESCC1CN(C(=O)c2ccc3c(c2)NCCN3)CC(C)N1C
InChIInChI=1S/C16H24N4O/c1-11-9-20(10-12(2)19(11)3)16(21)13-4-5-14-15(8-13)18-7-6-17-14/h4-5,8,11-12,17-18H,6-7,9-10H2,1-3H3
InChIKeyXYWFLIHGMROVAZ-UHFFFAOYSA-N
MW288.40 g/mol
LogP1.69
Rot. Bonds1

About 1,2,3,4-tetrahydroquinoxalin-6-yl-(3,4,5-trimethylpiperazin-1-yl)methanone

1,2,3,4-tetrahydroquinoxalin-6-yl-(3,4,5-trimethylpiperazin-1-yl)methanone (PubChem CID 114537100) has the molecular formula C16H24N4O and a molecular weight of 288.40 g/mol. Its IUPAC name is 1,2,3,4-tetrahydroquinoxalin-6-yl-(3,4,5-trimethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name1,2,3,4-tetrahydroquinoxalin-6-yl-(3,4,5-trimethylpiperazin-1-yl)methanone
PubChem CID114537100
Molecular FormulaC16H24N4O
Molecular Weight288.40 g/mol
Exact Mass288.20
IUPAC Name1,2,3,4-tetrahydroquinoxalin-6-yl-(3,4,5-trimethylpiperazin-1-yl)methanone
SMILESCC1CN(C(=O)c2ccc3c(c2)NCCN3)CC(C)N1C
InChIInChI=1S/C16H24N4O/c1-11-9-20(10-12(2)19(11)3)16(21)13-4-5-14-15(8-13)18-7-6-17-14/h4-5,8,11-12,17-18H,6-7,9-10H2,1-3H3
InChIKeyXYWFLIHGMROVAZ-UHFFFAOYSA-N
XLogP1.69
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1,2,3,4-tetrahydroquinoxalin-6-yl-(3,4,5-trimethylpiperazin-1-yl)methanone 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

pyrrolidin-1-yl(1,2,3,4-tetrahydroquinoxalin-6-yl)methanone
CID 96599561
(3,4-dimethoxyphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 110662312
1H-indazol-6-yl-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 114539393
(3-propylpyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinoxalin-6-yl)methanone
CID 104615300
(3-fluorophenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 110662297
[4-(dimethylamino)phenyl]-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 110662268
(3,3-dimethylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinoxalin-6-yl)methanone
CID 104615061
N'-hydroxy-4-(3,4,5-trimethylpiperazine-1-carbonyl)benzenecarboximidamide
CID 114539189
1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 69495489
N-(1,3-dimethylpiperidin-4-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 114504320
(3-ethylmorpholin-4-yl)-(1,2,3,4-tetrahydroquinoxalin-6-yl)methanone
CID 104614640
5-(3,4-dimethylpiperazine-1-carbonyl)-1,3-dihydroindol-2-one
CID 103725306

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydroquinoxalin-6-yl-(3,4,5-trimethylpiperazin-1-yl)methanone?
The IUPAC name of 1,2,3,4-tetrahydroquinoxalin-6-yl-(3,4,5-trimethylpiperazin-1-yl)methanone (CID 114537100) is 1,2,3,4-tetrahydroquinoxalin-6-yl-(3,4,5-trimethylpiperazin-1-yl)methanone.
What is the SMILES notation for 1,2,3,4-tetrahydroquinoxalin-6-yl-(3,4,5-trimethylpiperazin-1-yl)methanone?
The canonical SMILES for 1,2,3,4-tetrahydroquinoxalin-6-yl-(3,4,5-trimethylpiperazin-1-yl)methanone is CC1CN(C(=O)c2ccc3c(c2)NCCN3)CC(C)N1C.
What is the InChIKey of 1,2,3,4-tetrahydroquinoxalin-6-yl-(3,4,5-trimethylpiperazin-1-yl)methanone?
The InChIKey is XYWFLIHGMROVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-11-9-20(10-12(2)19(11)3)16(21)13-4-5-14-15(8-13)18-7-6-17-14/h4-5,8,11-12,17-18H,6-7,9-10H2,1-3H3.
What are the key properties of 1,2,3,4-tetrahydroquinoxalin-6-yl-(3,4,5-trimethylpiperazin-1-yl)methanone?
1,2,3,4-tetrahydroquinoxalin-6-yl-(3,4,5-trimethylpiperazin-1-yl)methanone has a molecular weight of 288.40 g/mol, XLogP of 1.69, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydroquinoxalin-6-yl-(3,4,5-trimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 114537100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).