4,5,16,19,19-pentamethyl-3,13-diazapentacyclo[14.2.1.02,15.03,12.06,11]nonadeca-2(15),4,6,8,10,12-hexaen-14-one

C22H24N2O — CID 90254151

IUPAC4,5,16,19,19-pentamethyl-3,13-diazapentacyclo[14.2.1.02,15.03,12.06,11]nonadeca-2(15),4,6,8,10,12-hexaen-14-one
SMILESCc1c(C)n2c3c(c(=O)nc2c2ccccc12)C1(C)CCC3C1(C)C
InChIInChI=1S/C22H24N2O/c1-12-13(2)24-18-16-10-11-22(5,21(16,3)4)17(18)20(25)23-19(24)15-9-7-6-8-14(12)15/h6-9,16H,10-11H2,1-5H3
InChIKeyDQNZRQWOFHIUDB-UHFFFAOYSA-N
MW332.45 g/mol
LogP4.64
Rot. Bonds

About 4,5,16,19,19-pentamethyl-3,13-diazapentacyclo[14.2.1.02,15.03,12.06,11]nonadeca-2(15),4,6,8,10,12-hexaen-14-one

4,5,16,19,19-pentamethyl-3,13-diazapentacyclo[14.2.1.02,15.03,12.06,11]nonadeca-2(15),4,6,8,10,12-hexaen-14-one (PubChem CID 90254151) has the molecular formula C22H24N2O and a molecular weight of 332.45 g/mol. Its IUPAC name is 4,5,16,19,19-pentamethyl-3,13-diazapentacyclo[14.2.1.02,15.03,12.06,11]nonadeca-2(15),4,6,8,10,12-hexaen-14-one.

Molecular Properties

Compound Name4,5,16,19,19-pentamethyl-3,13-diazapentacyclo[14.2.1.02,15.03,12.06,11]nonadeca-2(15),4,6,8,10,12-hexaen-14-one
PubChem CID90254151
Molecular FormulaC22H24N2O
Molecular Weight332.45 g/mol
Exact Mass332.19
IUPAC Name4,5,16,19,19-pentamethyl-3,13-diazapentacyclo[14.2.1.02,15.03,12.06,11]nonadeca-2(15),4,6,8,10,12-hexaen-14-one
SMILESCc1c(C)n2c3c(c(=O)nc2c2ccccc12)C1(C)CCC3C1(C)C
InChIInChI=1S/C22H24N2O/c1-12-13(2)24-18-16-10-11-22(5,21(16,3)4)17(18)20(25)23-19(24)15-9-7-6-8-14(12)15/h6-9,16H,10-11H2,1-5H3
InChIKeyDQNZRQWOFHIUDB-UHFFFAOYSA-N
XLogP4.64
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 4,5,16,19,19-pentamethyl-3,13-diazapentacyclo[14.2.1.02,15.03,12.06,11]nonadeca-2(15),4,6,8,10,12-hexaen-14-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 4,5,16,19,19-pentamethyl-3,13-diazapentacyclo[14.2.1.02,15.03,12.06,11]nonadeca-2(15),4,6,8,10,12-hexaen-14-one?
The IUPAC name of 4,5,16,19,19-pentamethyl-3,13-diazapentacyclo[14.2.1.02,15.03,12.06,11]nonadeca-2(15),4,6,8,10,12-hexaen-14-one (CID 90254151) is 4,5,16,19,19-pentamethyl-3,13-diazapentacyclo[14.2.1.02,15.03,12.06,11]nonadeca-2(15),4,6,8,10,12-hexaen-14-one.
What is the SMILES notation for 4,5,16,19,19-pentamethyl-3,13-diazapentacyclo[14.2.1.02,15.03,12.06,11]nonadeca-2(15),4,6,8,10,12-hexaen-14-one?
The canonical SMILES for 4,5,16,19,19-pentamethyl-3,13-diazapentacyclo[14.2.1.02,15.03,12.06,11]nonadeca-2(15),4,6,8,10,12-hexaen-14-one is Cc1c(C)n2c3c(c(=O)nc2c2ccccc12)C1(C)CCC3C1(C)C.
What is the InChIKey of 4,5,16,19,19-pentamethyl-3,13-diazapentacyclo[14.2.1.02,15.03,12.06,11]nonadeca-2(15),4,6,8,10,12-hexaen-14-one?
The InChIKey is DQNZRQWOFHIUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O/c1-12-13(2)24-18-16-10-11-22(5,21(16,3)4)17(18)20(25)23-19(24)15-9-7-6-8-14(12)15/h6-9,16H,10-11H2,1-5H3.
What are the key properties of 4,5,16,19,19-pentamethyl-3,13-diazapentacyclo[14.2.1.02,15.03,12.06,11]nonadeca-2(15),4,6,8,10,12-hexaen-14-one?
4,5,16,19,19-pentamethyl-3,13-diazapentacyclo[14.2.1.02,15.03,12.06,11]nonadeca-2(15),4,6,8,10,12-hexaen-14-one has a molecular weight of 332.45 g/mol, XLogP of 4.64, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,16,19,19-pentamethyl-3,13-diazapentacyclo[14.2.1.02,15.03,12.06,11]nonadeca-2(15),4,6,8,10,12-hexaen-14-one is sourced from PubChem (CID 90254151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).