4,11,11-trimethyl-14-(4-methylphenyl)-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2(7),3,5,8,12-hexaen-15-one

C24H22N2O — CID 71474809

IUPAC4,11,11-trimethyl-14-(4-methylphenyl)-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2(7),3,5,8,12-hexaen-15-one
SMILESCc1ccc(N2C(=O)c3c4c(nc5ccc(C)cc35)CC(C)(C)C=C42)cc1
InChIInChI=1S/C24H22N2O/c1-14-5-8-16(9-6-14)26-20-13-24(3,4)12-19-22(20)21(23(26)27)17-11-15(2)7-10-18(17)25-19/h5-11,13H,12H2,1-4H3
InChIKeyDLCVSFGSJBAPPI-UHFFFAOYSA-N
MW354.45 g/mol
LogP5.44
Rot. Bonds1

About 4,11,11-trimethyl-14-(4-methylphenyl)-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2(7),3,5,8,12-hexaen-15-one

4,11,11-trimethyl-14-(4-methylphenyl)-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2(7),3,5,8,12-hexaen-15-one (PubChem CID 71474809) has the molecular formula C24H22N2O and a molecular weight of 354.45 g/mol. Its IUPAC name is 4,11,11-trimethyl-14-(4-methylphenyl)-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2(7),3,5,8,12-hexaen-15-one.

Molecular Properties

Compound Name4,11,11-trimethyl-14-(4-methylphenyl)-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2(7),3,5,8,12-hexaen-15-one
PubChem CID71474809
Molecular FormulaC24H22N2O
Molecular Weight354.45 g/mol
Exact Mass354.17
IUPAC Name4,11,11-trimethyl-14-(4-methylphenyl)-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2(7),3,5,8,12-hexaen-15-one
SMILESCc1ccc(N2C(=O)c3c4c(nc5ccc(C)cc35)CC(C)(C)C=C42)cc1
InChIInChI=1S/C24H22N2O/c1-14-5-8-16(9-6-14)26-20-13-24(3,4)12-19-22(20)21(23(26)27)17-11-15(2)7-10-18(17)25-19/h5-11,13H,12H2,1-4H3
InChIKeyDLCVSFGSJBAPPI-UHFFFAOYSA-N
XLogP5.44
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.45
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4,11,11-trimethyl-14-(4-methylphenyl)-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2(7),3,5,8,12-hexaen-15-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,11,11-trimethyl-14-(4-methylphenyl)-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2(7),3,5,8,12-hexaen-15-one?
The IUPAC name of 4,11,11-trimethyl-14-(4-methylphenyl)-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2(7),3,5,8,12-hexaen-15-one (CID 71474809) is 4,11,11-trimethyl-14-(4-methylphenyl)-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2(7),3,5,8,12-hexaen-15-one.
What is the SMILES notation for 4,11,11-trimethyl-14-(4-methylphenyl)-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2(7),3,5,8,12-hexaen-15-one?
The canonical SMILES for 4,11,11-trimethyl-14-(4-methylphenyl)-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2(7),3,5,8,12-hexaen-15-one is Cc1ccc(N2C(=O)c3c4c(nc5ccc(C)cc35)CC(C)(C)C=C42)cc1.
What is the InChIKey of 4,11,11-trimethyl-14-(4-methylphenyl)-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2(7),3,5,8,12-hexaen-15-one?
The InChIKey is DLCVSFGSJBAPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O/c1-14-5-8-16(9-6-14)26-20-13-24(3,4)12-19-22(20)21(23(26)27)17-11-15(2)7-10-18(17)25-19/h5-11,13H,12H2,1-4H3.
What are the key properties of 4,11,11-trimethyl-14-(4-methylphenyl)-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2(7),3,5,8,12-hexaen-15-one?
4,11,11-trimethyl-14-(4-methylphenyl)-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2(7),3,5,8,12-hexaen-15-one has a molecular weight of 354.45 g/mol, XLogP of 5.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,11,11-trimethyl-14-(4-methylphenyl)-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2(7),3,5,8,12-hexaen-15-one is sourced from PubChem (CID 71474809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).