8-methyl-6-(4-methylpiperazin-1-yl)-N-propan-2-yl-8,9-dihydro-7H-[1,3]diazepino[1,2-a]quinoxalin-2-imine

C21H30N6 — CID 137117718

IUPAC8-methyl-6-(4-methylpiperazin-1-yl)-N-propan-2-yl-8,9-dihydro-7H-[1,3]diazepino[1,2-a]quinoxalin-2-imine
SMILESCC(C)/N=c1\ccc2nc(N3CCN(C)CC3)c3n(c-2c1)C=CCC(C)N3
InChIInChI=1S/C21H30N6/c1-15(2)22-17-7-8-18-19(14-17)27-9-5-6-16(3)23-21(27)20(24-18)26-12-10-25(4)11-13-26/h5,7-9,14-16,23H,6,10-13H2,1-4H3/b22-17+
InChIKeyNJMBGABOOVEIJJ-OQKWZONESA-N
MW366.51 g/mol
LogP2.72
Rot. Bonds2

About 8-methyl-6-(4-methylpiperazin-1-yl)-N-propan-2-yl-8,9-dihydro-7H-[1,3]diazepino[1,2-a]quinoxalin-2-imine

8-methyl-6-(4-methylpiperazin-1-yl)-N-propan-2-yl-8,9-dihydro-7H-[1,3]diazepino[1,2-a]quinoxalin-2-imine (PubChem CID 137117718) has the molecular formula C21H30N6 and a molecular weight of 366.51 g/mol. Its IUPAC name is 8-methyl-6-(4-methylpiperazin-1-yl)-N-propan-2-yl-8,9-dihydro-7H-[1,3]diazepino[1,2-a]quinoxalin-2-imine.

Molecular Properties

Compound Name8-methyl-6-(4-methylpiperazin-1-yl)-N-propan-2-yl-8,9-dihydro-7H-[1,3]diazepino[1,2-a]quinoxalin-2-imine
PubChem CID137117718
Molecular FormulaC21H30N6
Molecular Weight366.51 g/mol
Exact Mass366.25
IUPAC Name8-methyl-6-(4-methylpiperazin-1-yl)-N-propan-2-yl-8,9-dihydro-7H-[1,3]diazepino[1,2-a]quinoxalin-2-imine
SMILESCC(C)/N=c1\ccc2nc(N3CCN(C)CC3)c3n(c-2c1)C=CCC(C)N3
InChIInChI=1S/C21H30N6/c1-15(2)22-17-7-8-18-19(14-17)27-9-5-6-16(3)23-21(27)20(24-18)26-12-10-25(4)11-13-26/h5,7-9,14-16,23H,6,10-13H2,1-4H3/b22-17+
InChIKeyNJMBGABOOVEIJJ-OQKWZONESA-N
XLogP2.72
TPSA48.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 8-methyl-6-(4-methylpiperazin-1-yl)-N-propan-2-yl-8,9-dihydro-7H-[1,3]diazepino[1,2-a]quinoxalin-2-imine with MolForge

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Related Compounds

2-(3-Methylpiperazin-1-yl)-1,8a-dihydroquinoxaline
CID 132195888
2,3-dimethyl-5-(4-methylpiperazin-1-yl)-N-propan-2-yl-3,4-dihydropyrimido[1,2-a]quinoxalin-9-imine
CID 136627710

Frequently Asked Questions

What is the IUPAC name of 8-methyl-6-(4-methylpiperazin-1-yl)-N-propan-2-yl-8,9-dihydro-7H-[1,3]diazepino[1,2-a]quinoxalin-2-imine?
The IUPAC name of 8-methyl-6-(4-methylpiperazin-1-yl)-N-propan-2-yl-8,9-dihydro-7H-[1,3]diazepino[1,2-a]quinoxalin-2-imine (CID 137117718) is 8-methyl-6-(4-methylpiperazin-1-yl)-N-propan-2-yl-8,9-dihydro-7H-[1,3]diazepino[1,2-a]quinoxalin-2-imine.
What is the SMILES notation for 8-methyl-6-(4-methylpiperazin-1-yl)-N-propan-2-yl-8,9-dihydro-7H-[1,3]diazepino[1,2-a]quinoxalin-2-imine?
The canonical SMILES for 8-methyl-6-(4-methylpiperazin-1-yl)-N-propan-2-yl-8,9-dihydro-7H-[1,3]diazepino[1,2-a]quinoxalin-2-imine is CC(C)/N=c1\ccc2nc(N3CCN(C)CC3)c3n(c-2c1)C=CCC(C)N3.
What is the InChIKey of 8-methyl-6-(4-methylpiperazin-1-yl)-N-propan-2-yl-8,9-dihydro-7H-[1,3]diazepino[1,2-a]quinoxalin-2-imine?
The InChIKey is NJMBGABOOVEIJJ-OQKWZONESA-N. The full InChI is InChI=1S/C21H30N6/c1-15(2)22-17-7-8-18-19(14-17)27-9-5-6-16(3)23-21(27)20(24-18)26-12-10-25(4)11-13-26/h5,7-9,14-16,23H,6,10-13H2,1-4H3/b22-17+.
What are the key properties of 8-methyl-6-(4-methylpiperazin-1-yl)-N-propan-2-yl-8,9-dihydro-7H-[1,3]diazepino[1,2-a]quinoxalin-2-imine?
8-methyl-6-(4-methylpiperazin-1-yl)-N-propan-2-yl-8,9-dihydro-7H-[1,3]diazepino[1,2-a]quinoxalin-2-imine has a molecular weight of 366.51 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-6-(4-methylpiperazin-1-yl)-N-propan-2-yl-8,9-dihydro-7H-[1,3]diazepino[1,2-a]quinoxalin-2-imine is sourced from PubChem (CID 137117718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).