11,11-dimethyl-14-(4-methylphenyl)-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,8,12-hexaen-15-one

C23H20N2O — CID 102290784

IUPAC11,11-dimethyl-14-(4-methylphenyl)-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,8,12-hexaen-15-one
SMILESCc1ccc(N2C(=O)c3c4c(nc5ccccc35)CC(C)(C)C=C42)cc1
InChIInChI=1S/C23H20N2O/c1-14-8-10-15(11-9-14)25-19-13-23(2,3)12-18-21(19)20(22(25)26)16-6-4-5-7-17(16)24-18/h4-11,13H,12H2,1-3H3
InChIKeyIVKFOYUKDPJRHR-UHFFFAOYSA-N
MW340.43 g/mol
LogP5.13
Rot. Bonds1

About 11,11-dimethyl-14-(4-methylphenyl)-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,8,12-hexaen-15-one

11,11-dimethyl-14-(4-methylphenyl)-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,8,12-hexaen-15-one (PubChem CID 102290784) has the molecular formula C23H20N2O and a molecular weight of 340.43 g/mol. Its IUPAC name is 11,11-dimethyl-14-(4-methylphenyl)-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,8,12-hexaen-15-one.

Molecular Properties

Compound Name11,11-dimethyl-14-(4-methylphenyl)-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,8,12-hexaen-15-one
PubChem CID102290784
Molecular FormulaC23H20N2O
Molecular Weight340.43 g/mol
Exact Mass340.16
IUPAC Name11,11-dimethyl-14-(4-methylphenyl)-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,8,12-hexaen-15-one
SMILESCc1ccc(N2C(=O)c3c4c(nc5ccccc35)CC(C)(C)C=C42)cc1
InChIInChI=1S/C23H20N2O/c1-14-8-10-15(11-9-14)25-19-13-23(2,3)12-18-21(19)20(22(25)26)16-6-4-5-7-17(16)24-18/h4-11,13H,12H2,1-3H3
InChIKeyIVKFOYUKDPJRHR-UHFFFAOYSA-N
XLogP5.13
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.43
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 11,11-dimethyl-14-(4-methylphenyl)-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,8,12-hexaen-15-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 11,11-dimethyl-14-(4-methylphenyl)-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,8,12-hexaen-15-one?
The IUPAC name of 11,11-dimethyl-14-(4-methylphenyl)-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,8,12-hexaen-15-one (CID 102290784) is 11,11-dimethyl-14-(4-methylphenyl)-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,8,12-hexaen-15-one.
What is the SMILES notation for 11,11-dimethyl-14-(4-methylphenyl)-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,8,12-hexaen-15-one?
The canonical SMILES for 11,11-dimethyl-14-(4-methylphenyl)-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,8,12-hexaen-15-one is Cc1ccc(N2C(=O)c3c4c(nc5ccccc35)CC(C)(C)C=C42)cc1.
What is the InChIKey of 11,11-dimethyl-14-(4-methylphenyl)-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,8,12-hexaen-15-one?
The InChIKey is IVKFOYUKDPJRHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O/c1-14-8-10-15(11-9-14)25-19-13-23(2,3)12-18-21(19)20(22(25)26)16-6-4-5-7-17(16)24-18/h4-11,13H,12H2,1-3H3.
What are the key properties of 11,11-dimethyl-14-(4-methylphenyl)-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,8,12-hexaen-15-one?
11,11-dimethyl-14-(4-methylphenyl)-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,8,12-hexaen-15-one has a molecular weight of 340.43 g/mol, XLogP of 5.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11,11-dimethyl-14-(4-methylphenyl)-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,8,12-hexaen-15-one is sourced from PubChem (CID 102290784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).