7,13-dimethyl-4-phenyl-11-propyl-5,6,8,11,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,12-pentaen-10-one

C19H19N5O — CID 11850775

IUPAC7,13-dimethyl-4-phenyl-11-propyl-5,6,8,11,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,12-pentaen-10-one
SMILESCCCn1nc(C)c2c(nc(C)n3nc(-c4ccccc4)cc23)c1=O
InChIInChI=1S/C19H19N5O/c1-4-10-23-19(25)18-17(12(2)21-23)16-11-15(14-8-6-5-7-9-14)22-24(16)13(3)20-18/h5-9,11H,4,10H2,1-3H3
InChIKeyNRCYHHOMJQHXHS-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.13
Rot. Bonds3

About 7,13-dimethyl-4-phenyl-11-propyl-5,6,8,11,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,12-pentaen-10-one

7,13-dimethyl-4-phenyl-11-propyl-5,6,8,11,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,12-pentaen-10-one (PubChem CID 11850775) has the molecular formula C19H19N5O and a molecular weight of 333.39 g/mol. Its IUPAC name is 7,13-dimethyl-4-phenyl-11-propyl-5,6,8,11,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,12-pentaen-10-one.

Molecular Properties

Compound Name7,13-dimethyl-4-phenyl-11-propyl-5,6,8,11,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,12-pentaen-10-one
PubChem CID11850775
Molecular FormulaC19H19N5O
Molecular Weight333.39 g/mol
Exact Mass333.16
IUPAC Name7,13-dimethyl-4-phenyl-11-propyl-5,6,8,11,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,12-pentaen-10-one
SMILESCCCn1nc(C)c2c(nc(C)n3nc(-c4ccccc4)cc23)c1=O
InChIInChI=1S/C19H19N5O/c1-4-10-23-19(25)18-17(12(2)21-23)16-11-15(14-8-6-5-7-9-14)22-24(16)13(3)20-18/h5-9,11H,4,10H2,1-3H3
InChIKeyNRCYHHOMJQHXHS-UHFFFAOYSA-N
XLogP3.13
TPSA65.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7,13-dimethyl-4-phenyl-11-propyl-5,6,8,11,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,12-pentaen-10-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7,13-dimethyl-4-phenyl-11-propyl-5,6,8,11,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,12-pentaen-10-one?
The IUPAC name of 7,13-dimethyl-4-phenyl-11-propyl-5,6,8,11,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,12-pentaen-10-one (CID 11850775) is 7,13-dimethyl-4-phenyl-11-propyl-5,6,8,11,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,12-pentaen-10-one.
What is the SMILES notation for 7,13-dimethyl-4-phenyl-11-propyl-5,6,8,11,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,12-pentaen-10-one?
The canonical SMILES for 7,13-dimethyl-4-phenyl-11-propyl-5,6,8,11,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,12-pentaen-10-one is CCCn1nc(C)c2c(nc(C)n3nc(-c4ccccc4)cc23)c1=O.
What is the InChIKey of 7,13-dimethyl-4-phenyl-11-propyl-5,6,8,11,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,12-pentaen-10-one?
The InChIKey is NRCYHHOMJQHXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c1-4-10-23-19(25)18-17(12(2)21-23)16-11-15(14-8-6-5-7-9-14)22-24(16)13(3)20-18/h5-9,11H,4,10H2,1-3H3.
What are the key properties of 7,13-dimethyl-4-phenyl-11-propyl-5,6,8,11,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,12-pentaen-10-one?
7,13-dimethyl-4-phenyl-11-propyl-5,6,8,11,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,12-pentaen-10-one has a molecular weight of 333.39 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7,13-dimethyl-4-phenyl-11-propyl-5,6,8,11,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,12-pentaen-10-one is sourced from PubChem (CID 11850775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).