5-(3,4-dichlorophenyl)-10-thia-2,3,4,7,12,15-hexazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),4,6,11,13,15-hexaen-8-one

C15H6Cl2N6OS — CID 134853092

IUPAC5-(3,4-dichlorophenyl)-10-thia-2,3,4,7,12,15-hexazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),4,6,11,13,15-hexaen-8-one
SMILESO=c1nc2c(-c3ccc(Cl)c(Cl)c3)n[nH]n2c2c1sc1nccnc12
InChIInChI=1S/C15H6Cl2N6OS/c16-7-2-1-6(5-8(7)17)9-13-20-14(24)12-11(23(13)22-21-9)10-15(25-12)19-4-3-18-10/h1-5,22H
InChIKeyQAHXLYDDJPPLHL-UHFFFAOYSA-N
MW389.23 g/mol
LogP3.55
Rot. Bonds1

About 5-(3,4-dichlorophenyl)-10-thia-2,3,4,7,12,15-hexazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),4,6,11,13,15-hexaen-8-one

5-(3,4-dichlorophenyl)-10-thia-2,3,4,7,12,15-hexazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),4,6,11,13,15-hexaen-8-one (PubChem CID 134853092) has the molecular formula C15H6Cl2N6OS and a molecular weight of 389.23 g/mol. Its IUPAC name is 5-(3,4-dichlorophenyl)-10-thia-2,3,4,7,12,15-hexazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),4,6,11,13,15-hexaen-8-one.

Molecular Properties

Compound Name5-(3,4-dichlorophenyl)-10-thia-2,3,4,7,12,15-hexazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),4,6,11,13,15-hexaen-8-one
PubChem CID134853092
Molecular FormulaC15H6Cl2N6OS
Molecular Weight389.23 g/mol
Exact Mass387.97
IUPAC Name5-(3,4-dichlorophenyl)-10-thia-2,3,4,7,12,15-hexazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),4,6,11,13,15-hexaen-8-one
SMILESO=c1nc2c(-c3ccc(Cl)c(Cl)c3)n[nH]n2c2c1sc1nccnc12
InChIInChI=1S/C15H6Cl2N6OS/c16-7-2-1-6(5-8(7)17)9-13-20-14(24)12-11(23(13)22-21-9)10-15(25-12)19-4-3-18-10/h1-5,22H
InChIKeyQAHXLYDDJPPLHL-UHFFFAOYSA-N
XLogP3.55
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.23
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-(3,4-dichlorophenyl)-10-thia-2,3,4,7,12,15-hexazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),4,6,11,13,15-hexaen-8-one with MolForge

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Related Compounds

Pyrido(3',2':4,5)thieno(3,2-d)pyrimidin-4(3H)-one, 3-((3,4-dichlorobenzylidene)amino)-2,7,9-trimethyl-
CID 9588419
5-(4-Bromophenyl)-10-thia-2,3,4,7,12,15-hexazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),4,6,11,13,15-hexaen-8-one
CID 134853154
5-(4-Methylphenyl)-10-thia-2,3,4,7,12,15-hexazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),4,6,11,13,15-hexaen-8-one
CID 134853166
5-Naphthalen-1-yl-10-thia-2,3,4,7,12,15-hexazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),4,6,11,13,15-hexaen-8-one
CID 134853336
5-[(3,4-Dichlorophenyl)methyl]-13-(dimethylamino)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
CID 11553215
Ethane;4-phenyl-8-thia-3,5,10,13-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
CID 144150013
7-amino-N-(5-chloro-2-methylphenyl)thieno[2,3-b]pyrazine-6-carboxamide
CID 65626479
7-amino-N-[(4-chlorophenyl)methyl]thieno[2,3-b]pyrazine-6-carboxamide
CID 65628174
7-amino-N-[(3-chlorophenyl)methyl]thieno[2,3-b]pyrazine-6-carboxamide
CID 65640770
7-amino-N-(2-chloro-6-methylphenyl)thieno[2,3-b]pyrazine-6-carboxamide
CID 66255273
4-Phenyl-8-thia-3,5,10,13-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
CID 144150014
7-[(4-Chlorobenzoyl)amino]thieno[2,3-b]pyrazine-6-carboxamide
CID 166419767

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dichlorophenyl)-10-thia-2,3,4,7,12,15-hexazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),4,6,11,13,15-hexaen-8-one?
The IUPAC name of 5-(3,4-dichlorophenyl)-10-thia-2,3,4,7,12,15-hexazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),4,6,11,13,15-hexaen-8-one (CID 134853092) is 5-(3,4-dichlorophenyl)-10-thia-2,3,4,7,12,15-hexazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),4,6,11,13,15-hexaen-8-one.
What is the SMILES notation for 5-(3,4-dichlorophenyl)-10-thia-2,3,4,7,12,15-hexazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),4,6,11,13,15-hexaen-8-one?
The canonical SMILES for 5-(3,4-dichlorophenyl)-10-thia-2,3,4,7,12,15-hexazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),4,6,11,13,15-hexaen-8-one is O=c1nc2c(-c3ccc(Cl)c(Cl)c3)n[nH]n2c2c1sc1nccnc12.
What is the InChIKey of 5-(3,4-dichlorophenyl)-10-thia-2,3,4,7,12,15-hexazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),4,6,11,13,15-hexaen-8-one?
The InChIKey is QAHXLYDDJPPLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H6Cl2N6OS/c16-7-2-1-6(5-8(7)17)9-13-20-14(24)12-11(23(13)22-21-9)10-15(25-12)19-4-3-18-10/h1-5,22H.
What are the key properties of 5-(3,4-dichlorophenyl)-10-thia-2,3,4,7,12,15-hexazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),4,6,11,13,15-hexaen-8-one?
5-(3,4-dichlorophenyl)-10-thia-2,3,4,7,12,15-hexazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),4,6,11,13,15-hexaen-8-one has a molecular weight of 389.23 g/mol, XLogP of 3.55, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dichlorophenyl)-10-thia-2,3,4,7,12,15-hexazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),4,6,11,13,15-hexaen-8-one is sourced from PubChem (CID 134853092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).