13-(dimethylamino)-5-phenyl-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one

C18H16N4O — CID 58063717

IUPAC13-(dimethylamino)-5-phenyl-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
SMILESCN(C)c1ccnc2c1-c1ncn(-c3ccccc3)c(=O)c1C2
InChIInChI=1S/C18H16N4O/c1-21(2)15-8-9-19-14-10-13-17(16(14)15)20-11-22(18(13)23)12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3
InChIKeyHJIZDKOEPCPZEP-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.26
Rot. Bonds2

About 13-(dimethylamino)-5-phenyl-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one

13-(dimethylamino)-5-phenyl-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one (PubChem CID 58063717) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is 13-(dimethylamino)-5-phenyl-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one.

Molecular Properties

Compound Name13-(dimethylamino)-5-phenyl-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
PubChem CID58063717
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC Name13-(dimethylamino)-5-phenyl-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
SMILESCN(C)c1ccnc2c1-c1ncn(-c3ccccc3)c(=O)c1C2
InChIInChI=1S/C18H16N4O/c1-21(2)15-8-9-19-14-10-13-17(16(14)15)20-11-22(18(13)23)12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3
InChIKeyHJIZDKOEPCPZEP-UHFFFAOYSA-N
XLogP2.26
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 13-(dimethylamino)-5-phenyl-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 13-(dimethylamino)-5-phenyl-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one?
The IUPAC name of 13-(dimethylamino)-5-phenyl-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one (CID 58063717) is 13-(dimethylamino)-5-phenyl-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one.
What is the SMILES notation for 13-(dimethylamino)-5-phenyl-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one?
The canonical SMILES for 13-(dimethylamino)-5-phenyl-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one is CN(C)c1ccnc2c1-c1ncn(-c3ccccc3)c(=O)c1C2.
What is the InChIKey of 13-(dimethylamino)-5-phenyl-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one?
The InChIKey is HJIZDKOEPCPZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O/c1-21(2)15-8-9-19-14-10-13-17(16(14)15)20-11-22(18(13)23)12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3.
What are the key properties of 13-(dimethylamino)-5-phenyl-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one?
13-(dimethylamino)-5-phenyl-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one has a molecular weight of 304.35 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 13-(dimethylamino)-5-phenyl-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one is sourced from PubChem (CID 58063717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).