11-cyclohexyl-4-methyl-5-phenyl-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one

C20H20N6O — CID 66496590

IUPAC11-cyclohexyl-4-methyl-5-phenyl-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
SMILESCc1nn2c(nnc3c(=O)n(C4CCCCC4)cnc32)c1-c1ccccc1
InChIInChI=1S/C20H20N6O/c1-13-16(14-8-4-2-5-9-14)18-23-22-17-19(26(18)24-13)21-12-25(20(17)27)15-10-6-3-7-11-15/h2,4-5,8-9,12,15H,3,6-7,10-11H2,1H3
InChIKeyGUEYLGABLBJNPC-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.31
Rot. Bonds2

About 11-cyclohexyl-4-methyl-5-phenyl-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one

11-cyclohexyl-4-methyl-5-phenyl-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one (PubChem CID 66496590) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is 11-cyclohexyl-4-methyl-5-phenyl-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one.

Molecular Properties

Compound Name11-cyclohexyl-4-methyl-5-phenyl-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
PubChem CID66496590
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC Name11-cyclohexyl-4-methyl-5-phenyl-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
SMILESCc1nn2c(nnc3c(=O)n(C4CCCCC4)cnc32)c1-c1ccccc1
InChIInChI=1S/C20H20N6O/c1-13-16(14-8-4-2-5-9-14)18-23-22-17-19(26(18)24-13)21-12-25(20(17)27)15-10-6-3-7-11-15/h2,4-5,8-9,12,15H,3,6-7,10-11H2,1H3
InChIKeyGUEYLGABLBJNPC-UHFFFAOYSA-N
XLogP3.31
TPSA77.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 11-cyclohexyl-4-methyl-5-phenyl-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one with MolForge

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Related Compounds

N,N-dimethyl-N'-(4-methyl-10-oxo-5-phenyl-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl)methanimidamide
CID 71671238
11-[(4-methoxyphenyl)methyl]-4-methyl-5-phenyl-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
CID 66496542
2-[5-(4-fluorophenyl)-4-methyl-10-oxo-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl]propanoic acid
CID 66496927
4,12-dimethyl-5-phenyl-2,3,7,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
CID 139214611
5-(4-fluorophenyl)-4-methyl-11-(pyridin-3-ylmethyl)-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
CID 66496850
3-cyclopentyl-5,6-dimethylpyrimidin-4-one
CID 126857571
4-(methoxymethyl)-11-(oxolan-2-ylmethyl)-5-phenyl-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
CID 66496492
6-cyclohexylthiadiazolo[5,4-d]pyrimidin-7-one
CID 1499194
4-amino-7-methyl-8-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 102128230
5-(4-bromophenyl)-4-methyl-11-phenyl-2,3,7,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
CID 39347254
N-cyclohexyl-7-(methoxymethyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 3422822
11-[2-(5-fluoro-1H-indol-3-yl)ethyl]-5-(4-fluorophenyl)-4-methyl-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
CID 66496943

Frequently Asked Questions

What is the IUPAC name of 11-cyclohexyl-4-methyl-5-phenyl-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one?
The IUPAC name of 11-cyclohexyl-4-methyl-5-phenyl-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one (CID 66496590) is 11-cyclohexyl-4-methyl-5-phenyl-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one.
What is the SMILES notation for 11-cyclohexyl-4-methyl-5-phenyl-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one?
The canonical SMILES for 11-cyclohexyl-4-methyl-5-phenyl-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one is Cc1nn2c(nnc3c(=O)n(C4CCCCC4)cnc32)c1-c1ccccc1.
What is the InChIKey of 11-cyclohexyl-4-methyl-5-phenyl-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one?
The InChIKey is GUEYLGABLBJNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O/c1-13-16(14-8-4-2-5-9-14)18-23-22-17-19(26(18)24-13)21-12-25(20(17)27)15-10-6-3-7-11-15/h2,4-5,8-9,12,15H,3,6-7,10-11H2,1H3.
What are the key properties of 11-cyclohexyl-4-methyl-5-phenyl-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one?
11-cyclohexyl-4-methyl-5-phenyl-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one has a molecular weight of 360.42 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 11-cyclohexyl-4-methyl-5-phenyl-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one is sourced from PubChem (CID 66496590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).