7-(2,4-dichlorophenyl)-12-methyl-1,5-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-7,9(16),10(15),11,13-pentaen-6-one

C21H16Cl2N2O — CID 67388269

IUPAC7-(2,4-dichlorophenyl)-12-methyl-1,5-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-7,9(16),10(15),11,13-pentaen-6-one
SMILESCc1ccc2c(c1)c1cc(-c3ccc(Cl)cc3Cl)c(=O)n3c1n2CCC3
InChIInChI=1S/C21H16Cl2N2O/c1-12-3-6-19-15(9-12)16-11-17(14-5-4-13(22)10-18(14)23)21(26)25-8-2-7-24(19)20(16)25/h3-6,9-11H,2,7-8H2,1H3
InChIKeyHICQTMQGDQCZEM-UHFFFAOYSA-N
MW383.28 g/mol
LogP5.64
Rot. Bonds1

About 7-(2,4-dichlorophenyl)-12-methyl-1,5-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-7,9(16),10(15),11,13-pentaen-6-one

7-(2,4-dichlorophenyl)-12-methyl-1,5-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-7,9(16),10(15),11,13-pentaen-6-one (PubChem CID 67388269) has the molecular formula C21H16Cl2N2O and a molecular weight of 383.28 g/mol. Its IUPAC name is 7-(2,4-dichlorophenyl)-12-methyl-1,5-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-7,9(16),10(15),11,13-pentaen-6-one.

Molecular Properties

Compound Name7-(2,4-dichlorophenyl)-12-methyl-1,5-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-7,9(16),10(15),11,13-pentaen-6-one
PubChem CID67388269
Molecular FormulaC21H16Cl2N2O
Molecular Weight383.28 g/mol
Exact Mass382.06
IUPAC Name7-(2,4-dichlorophenyl)-12-methyl-1,5-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-7,9(16),10(15),11,13-pentaen-6-one
SMILESCc1ccc2c(c1)c1cc(-c3ccc(Cl)cc3Cl)c(=O)n3c1n2CCC3
InChIInChI=1S/C21H16Cl2N2O/c1-12-3-6-19-15(9-12)16-11-17(14-5-4-13(22)10-18(14)23)21(26)25-8-2-7-24(19)20(16)25/h3-6,9-11H,2,7-8H2,1H3
InChIKeyHICQTMQGDQCZEM-UHFFFAOYSA-N
XLogP5.64
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.28
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-(2,4-dichlorophenyl)-12-methyl-1,5-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-7,9(16),10(15),11,13-pentaen-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-(2,4-dichlorophenyl)-12-methyl-1,5-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-7,9(16),10(15),11,13-pentaen-6-one?
The IUPAC name of 7-(2,4-dichlorophenyl)-12-methyl-1,5-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-7,9(16),10(15),11,13-pentaen-6-one (CID 67388269) is 7-(2,4-dichlorophenyl)-12-methyl-1,5-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-7,9(16),10(15),11,13-pentaen-6-one.
What is the SMILES notation for 7-(2,4-dichlorophenyl)-12-methyl-1,5-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-7,9(16),10(15),11,13-pentaen-6-one?
The canonical SMILES for 7-(2,4-dichlorophenyl)-12-methyl-1,5-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-7,9(16),10(15),11,13-pentaen-6-one is Cc1ccc2c(c1)c1cc(-c3ccc(Cl)cc3Cl)c(=O)n3c1n2CCC3.
What is the InChIKey of 7-(2,4-dichlorophenyl)-12-methyl-1,5-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-7,9(16),10(15),11,13-pentaen-6-one?
The InChIKey is HICQTMQGDQCZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl2N2O/c1-12-3-6-19-15(9-12)16-11-17(14-5-4-13(22)10-18(14)23)21(26)25-8-2-7-24(19)20(16)25/h3-6,9-11H,2,7-8H2,1H3.
What are the key properties of 7-(2,4-dichlorophenyl)-12-methyl-1,5-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-7,9(16),10(15),11,13-pentaen-6-one?
7-(2,4-dichlorophenyl)-12-methyl-1,5-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-7,9(16),10(15),11,13-pentaen-6-one has a molecular weight of 383.28 g/mol, XLogP of 5.64, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,4-dichlorophenyl)-12-methyl-1,5-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-7,9(16),10(15),11,13-pentaen-6-one is sourced from PubChem (CID 67388269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).