4-chloro-14-(4-chlorophenyl)-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1,3,5,7,9(16),10,12-heptaen-15-one

C20H10Cl2N2O — CID 139222012

IUPAC4-chloro-14-(4-chlorophenyl)-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1,3,5,7,9(16),10,12-heptaen-15-one
SMILESO=C1c2c3cc(Cl)ccc3nc3cccc(c23)N1c1ccc(Cl)cc1
InChIInChI=1S/C20H10Cl2N2O/c21-11-4-7-13(8-5-11)24-17-3-1-2-16-19(17)18(20(24)25)14-10-12(22)6-9-15(14)23-16/h1-10H
InChIKeyMOCXPTXVRYZGKC-UHFFFAOYSA-N
MW365.22 g/mol
LogP5.99
Rot. Bonds1

About 4-chloro-14-(4-chlorophenyl)-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1,3,5,7,9(16),10,12-heptaen-15-one

4-chloro-14-(4-chlorophenyl)-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1,3,5,7,9(16),10,12-heptaen-15-one (PubChem CID 139222012) has the molecular formula C20H10Cl2N2O and a molecular weight of 365.22 g/mol. Its IUPAC name is 4-chloro-14-(4-chlorophenyl)-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1,3,5,7,9(16),10,12-heptaen-15-one.

Molecular Properties

Compound Name4-chloro-14-(4-chlorophenyl)-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1,3,5,7,9(16),10,12-heptaen-15-one
PubChem CID139222012
Molecular FormulaC20H10Cl2N2O
Molecular Weight365.22 g/mol
Exact Mass364.02
IUPAC Name4-chloro-14-(4-chlorophenyl)-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1,3,5,7,9(16),10,12-heptaen-15-one
SMILESO=C1c2c3cc(Cl)ccc3nc3cccc(c23)N1c1ccc(Cl)cc1
InChIInChI=1S/C20H10Cl2N2O/c21-11-4-7-13(8-5-11)24-17-3-1-2-16-19(17)18(20(24)25)14-10-12(22)6-9-15(14)23-16/h1-10H
InChIKeyMOCXPTXVRYZGKC-UHFFFAOYSA-N
XLogP5.99
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.22
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 4-chloro-14-(4-chlorophenyl)-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1,3,5,7,9(16),10,12-heptaen-15-one with MolForge

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Related Compounds

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14-[2-(dimethylamino)ethyl]-4-methyl-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1,3,5,7,9(16),10,12-heptaen-15-one;ethane
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Frequently Asked Questions

What is the IUPAC name of 4-chloro-14-(4-chlorophenyl)-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1,3,5,7,9(16),10,12-heptaen-15-one?
The IUPAC name of 4-chloro-14-(4-chlorophenyl)-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1,3,5,7,9(16),10,12-heptaen-15-one (CID 139222012) is 4-chloro-14-(4-chlorophenyl)-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1,3,5,7,9(16),10,12-heptaen-15-one.
What is the SMILES notation for 4-chloro-14-(4-chlorophenyl)-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1,3,5,7,9(16),10,12-heptaen-15-one?
The canonical SMILES for 4-chloro-14-(4-chlorophenyl)-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1,3,5,7,9(16),10,12-heptaen-15-one is O=C1c2c3cc(Cl)ccc3nc3cccc(c23)N1c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-14-(4-chlorophenyl)-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1,3,5,7,9(16),10,12-heptaen-15-one?
The InChIKey is MOCXPTXVRYZGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10Cl2N2O/c21-11-4-7-13(8-5-11)24-17-3-1-2-16-19(17)18(20(24)25)14-10-12(22)6-9-15(14)23-16/h1-10H.
What are the key properties of 4-chloro-14-(4-chlorophenyl)-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1,3,5,7,9(16),10,12-heptaen-15-one?
4-chloro-14-(4-chlorophenyl)-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1,3,5,7,9(16),10,12-heptaen-15-one has a molecular weight of 365.22 g/mol, XLogP of 5.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-14-(4-chlorophenyl)-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1,3,5,7,9(16),10,12-heptaen-15-one is sourced from PubChem (CID 139222012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).