14-ethyl-8-methyl-11-(4-methylpiperazin-1-yl)-1-azatricyclo[10.4.0.02,7]hexadeca-2(7),3,5,10,12,15-hexaene-4-carbonitrile

C24H30N4 — CID 123617308

IUPAC14-ethyl-8-methyl-11-(4-methylpiperazin-1-yl)-1-azatricyclo[10.4.0.02,7]hexadeca-2(7),3,5,10,12,15-hexaene-4-carbonitrile
SMILESCCC1C=CN2C(=C1)C(N1CCN(C)CC1)=CCC(C)c1ccc(C#N)cc12
InChIInChI=1S/C24H30N4/c1-4-19-9-10-28-23-16-20(17-25)6-7-21(23)18(2)5-8-22(24(28)15-19)27-13-11-26(3)12-14-27/h6-10,15-16,18-19H,4-5,11-14H2,1-3H3
InChIKeyWYFRAZWLCYGAIL-UHFFFAOYSA-N
MW374.53 g/mol
LogP4.44
Rot. Bonds2

About 14-ethyl-8-methyl-11-(4-methylpiperazin-1-yl)-1-azatricyclo[10.4.0.02,7]hexadeca-2(7),3,5,10,12,15-hexaene-4-carbonitrile

14-ethyl-8-methyl-11-(4-methylpiperazin-1-yl)-1-azatricyclo[10.4.0.02,7]hexadeca-2(7),3,5,10,12,15-hexaene-4-carbonitrile (PubChem CID 123617308) has the molecular formula C24H30N4 and a molecular weight of 374.53 g/mol. Its IUPAC name is 14-ethyl-8-methyl-11-(4-methylpiperazin-1-yl)-1-azatricyclo[10.4.0.02,7]hexadeca-2(7),3,5,10,12,15-hexaene-4-carbonitrile.

Molecular Properties

Compound Name14-ethyl-8-methyl-11-(4-methylpiperazin-1-yl)-1-azatricyclo[10.4.0.02,7]hexadeca-2(7),3,5,10,12,15-hexaene-4-carbonitrile
PubChem CID123617308
Molecular FormulaC24H30N4
Molecular Weight374.53 g/mol
Exact Mass374.25
IUPAC Name14-ethyl-8-methyl-11-(4-methylpiperazin-1-yl)-1-azatricyclo[10.4.0.02,7]hexadeca-2(7),3,5,10,12,15-hexaene-4-carbonitrile
SMILESCCC1C=CN2C(=C1)C(N1CCN(C)CC1)=CCC(C)c1ccc(C#N)cc12
InChIInChI=1S/C24H30N4/c1-4-19-9-10-28-23-16-20(17-25)6-7-21(23)18(2)5-8-22(24(28)15-19)27-13-11-26(3)12-14-27/h6-10,15-16,18-19H,4-5,11-14H2,1-3H3
InChIKeyWYFRAZWLCYGAIL-UHFFFAOYSA-N
XLogP4.44
TPSA33.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 14-ethyl-8-methyl-11-(4-methylpiperazin-1-yl)-1-azatricyclo[10.4.0.02,7]hexadeca-2(7),3,5,10,12,15-hexaene-4-carbonitrile with MolForge

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Related Compounds

4-(4-methylpiperazin-1-yl)benzonitrile
CID 763205
4-(3-ethyl-4-methylpiperazin-1-yl)-3-fluorobenzonitrile
CID 55215644
4-fluoro-3-[(4-methylpiperazin-1-yl)methyl]benzonitrile
CID 24693249
4-fluoro-3-[(4-methyl-1,4-diazepan-1-yl)methyl]benzonitrile
CID 28744995
3,5-difluoro-4-(4-methyl-1,4-diazepan-1-yl)benzonitrile
CID 78988221
1-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-indene-5-carbonitrile
CID 67456419
4-amino-3-(3-ethylpiperidin-1-yl)benzonitrile
CID 113444119
14-chloro-10-methyl-7-(4-methylpiperazin-1-yl)-3-oxa-5-azatricyclo[9.4.0.02,6]pentadeca-1(11),2(6),4,7,12,14-hexaene
CID 90841400
1-ethenyl-8-fluoro-6-methyl-3-(4-methylpiperazin-1-yl)-9-(trifluoromethyl)-5,6-dihydro-1-benzazocin-2-imine
CID 123360892
3-(4-propylpiperazin-1-yl)benzonitrile
CID 22397822
14-chloro-4,10-dimethyl-7-(4-methylpiperazin-1-yl)-3-oxa-5-azatricyclo[9.4.0.02,6]pentadeca-1(11),2(6),4,7,12,14-hexaene
CID 123939887
3-[(2,4-dimethylpiperazin-1-yl)methyl]benzonitrile
CID 71877621

Frequently Asked Questions

What is the IUPAC name of 14-ethyl-8-methyl-11-(4-methylpiperazin-1-yl)-1-azatricyclo[10.4.0.02,7]hexadeca-2(7),3,5,10,12,15-hexaene-4-carbonitrile?
The IUPAC name of 14-ethyl-8-methyl-11-(4-methylpiperazin-1-yl)-1-azatricyclo[10.4.0.02,7]hexadeca-2(7),3,5,10,12,15-hexaene-4-carbonitrile (CID 123617308) is 14-ethyl-8-methyl-11-(4-methylpiperazin-1-yl)-1-azatricyclo[10.4.0.02,7]hexadeca-2(7),3,5,10,12,15-hexaene-4-carbonitrile.
What is the SMILES notation for 14-ethyl-8-methyl-11-(4-methylpiperazin-1-yl)-1-azatricyclo[10.4.0.02,7]hexadeca-2(7),3,5,10,12,15-hexaene-4-carbonitrile?
The canonical SMILES for 14-ethyl-8-methyl-11-(4-methylpiperazin-1-yl)-1-azatricyclo[10.4.0.02,7]hexadeca-2(7),3,5,10,12,15-hexaene-4-carbonitrile is CCC1C=CN2C(=C1)C(N1CCN(C)CC1)=CCC(C)c1ccc(C#N)cc12.
What is the InChIKey of 14-ethyl-8-methyl-11-(4-methylpiperazin-1-yl)-1-azatricyclo[10.4.0.02,7]hexadeca-2(7),3,5,10,12,15-hexaene-4-carbonitrile?
The InChIKey is WYFRAZWLCYGAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4/c1-4-19-9-10-28-23-16-20(17-25)6-7-21(23)18(2)5-8-22(24(28)15-19)27-13-11-26(3)12-14-27/h6-10,15-16,18-19H,4-5,11-14H2,1-3H3.
What are the key properties of 14-ethyl-8-methyl-11-(4-methylpiperazin-1-yl)-1-azatricyclo[10.4.0.02,7]hexadeca-2(7),3,5,10,12,15-hexaene-4-carbonitrile?
14-ethyl-8-methyl-11-(4-methylpiperazin-1-yl)-1-azatricyclo[10.4.0.02,7]hexadeca-2(7),3,5,10,12,15-hexaene-4-carbonitrile has a molecular weight of 374.53 g/mol, XLogP of 4.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 14-ethyl-8-methyl-11-(4-methylpiperazin-1-yl)-1-azatricyclo[10.4.0.02,7]hexadeca-2(7),3,5,10,12,15-hexaene-4-carbonitrile is sourced from PubChem (CID 123617308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).