14-methyl-6-propan-2-yl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one

C15H16N4O — CID 67522498

IUPAC14-methyl-6-propan-2-yl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one
SMILESCc1ccc2c(n1)Nc1ncc(C(C)C)cc1NC2=O
InChIInChI=1S/C15H16N4O/c1-8(2)10-6-12-14(16-7-10)19-13-11(15(20)18-12)5-4-9(3)17-13/h4-8H,1-3H3,(H,18,20)(H,16,17,19)
InChIKeyQLDBBSFSZZTBTB-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.22
Rot. Bonds1

About 14-methyl-6-propan-2-yl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one

14-methyl-6-propan-2-yl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one (PubChem CID 67522498) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 14-methyl-6-propan-2-yl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one.

Molecular Properties

Compound Name14-methyl-6-propan-2-yl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one
PubChem CID67522498
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name14-methyl-6-propan-2-yl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one
SMILESCc1ccc2c(n1)Nc1ncc(C(C)C)cc1NC2=O
InChIInChI=1S/C15H16N4O/c1-8(2)10-6-12-14(16-7-10)19-13-11(15(20)18-12)5-4-9(3)17-13/h4-8H,1-3H3,(H,18,20)(H,16,17,19)
InChIKeyQLDBBSFSZZTBTB-UHFFFAOYSA-N
XLogP3.22
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 14-methyl-6-propan-2-yl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-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 14-methyl-6-propan-2-yl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one?
The IUPAC name of 14-methyl-6-propan-2-yl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one (CID 67522498) is 14-methyl-6-propan-2-yl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one.
What is the SMILES notation for 14-methyl-6-propan-2-yl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one?
The canonical SMILES for 14-methyl-6-propan-2-yl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one is Cc1ccc2c(n1)Nc1ncc(C(C)C)cc1NC2=O.
What is the InChIKey of 14-methyl-6-propan-2-yl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one?
The InChIKey is QLDBBSFSZZTBTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-8(2)10-6-12-14(16-7-10)19-13-11(15(20)18-12)5-4-9(3)17-13/h4-8H,1-3H3,(H,18,20)(H,16,17,19).
What are the key properties of 14-methyl-6-propan-2-yl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one?
14-methyl-6-propan-2-yl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one has a molecular weight of 268.32 g/mol, XLogP of 3.22, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 14-methyl-6-propan-2-yl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one is sourced from PubChem (CID 67522498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).