13-(4-chlorophenyl)-3-methyl-10-thia-3,5,8,13,15-pentazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,4,6,8,11(16),14-hexaen-12-one

C17H10ClN5OS — CID 16659964

IUPAC13-(4-chlorophenyl)-3-methyl-10-thia-3,5,8,13,15-pentazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,4,6,8,11(16),14-hexaen-12-one
SMILESCn1cnc2cnc3sc4c(=O)n(-c5ccc(Cl)cc5)cnc4c3c21
InChIInChI=1S/C17H10ClN5OS/c1-22-7-20-11-6-19-16-12(14(11)22)13-15(25-16)17(24)23(8-21-13)10-4-2-9(18)3-5-10/h2-8H,1H3
InChIKeyTUWFZAWPLYDRPS-UHFFFAOYSA-N
MW367.82 g/mol
LogP3.54
Rot. Bonds1

About 13-(4-chlorophenyl)-3-methyl-10-thia-3,5,8,13,15-pentazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,4,6,8,11(16),14-hexaen-12-one

13-(4-chlorophenyl)-3-methyl-10-thia-3,5,8,13,15-pentazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,4,6,8,11(16),14-hexaen-12-one (PubChem CID 16659964) has the molecular formula C17H10ClN5OS and a molecular weight of 367.82 g/mol. Its IUPAC name is 13-(4-chlorophenyl)-3-methyl-10-thia-3,5,8,13,15-pentazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,4,6,8,11(16),14-hexaen-12-one.

Molecular Properties

Compound Name13-(4-chlorophenyl)-3-methyl-10-thia-3,5,8,13,15-pentazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,4,6,8,11(16),14-hexaen-12-one
PubChem CID16659964
Molecular FormulaC17H10ClN5OS
Molecular Weight367.82 g/mol
Exact Mass367.03
IUPAC Name13-(4-chlorophenyl)-3-methyl-10-thia-3,5,8,13,15-pentazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,4,6,8,11(16),14-hexaen-12-one
SMILESCn1cnc2cnc3sc4c(=O)n(-c5ccc(Cl)cc5)cnc4c3c21
InChIInChI=1S/C17H10ClN5OS/c1-22-7-20-11-6-19-16-12(14(11)22)13-15(25-16)17(24)23(8-21-13)10-4-2-9(18)3-5-10/h2-8H,1H3
InChIKeyTUWFZAWPLYDRPS-UHFFFAOYSA-N
XLogP3.54
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.82
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 13-(4-chlorophenyl)-3-methyl-10-thia-3,5,8,13,15-pentazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,4,6,8,11(16),14-hexaen-12-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 13-(4-chlorophenyl)-3-methyl-10-thia-3,5,8,13,15-pentazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,4,6,8,11(16),14-hexaen-12-one?
The IUPAC name of 13-(4-chlorophenyl)-3-methyl-10-thia-3,5,8,13,15-pentazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,4,6,8,11(16),14-hexaen-12-one (CID 16659964) is 13-(4-chlorophenyl)-3-methyl-10-thia-3,5,8,13,15-pentazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,4,6,8,11(16),14-hexaen-12-one.
What is the SMILES notation for 13-(4-chlorophenyl)-3-methyl-10-thia-3,5,8,13,15-pentazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,4,6,8,11(16),14-hexaen-12-one?
The canonical SMILES for 13-(4-chlorophenyl)-3-methyl-10-thia-3,5,8,13,15-pentazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,4,6,8,11(16),14-hexaen-12-one is Cn1cnc2cnc3sc4c(=O)n(-c5ccc(Cl)cc5)cnc4c3c21.
What is the InChIKey of 13-(4-chlorophenyl)-3-methyl-10-thia-3,5,8,13,15-pentazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,4,6,8,11(16),14-hexaen-12-one?
The InChIKey is TUWFZAWPLYDRPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClN5OS/c1-22-7-20-11-6-19-16-12(14(11)22)13-15(25-16)17(24)23(8-21-13)10-4-2-9(18)3-5-10/h2-8H,1H3.
What are the key properties of 13-(4-chlorophenyl)-3-methyl-10-thia-3,5,8,13,15-pentazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,4,6,8,11(16),14-hexaen-12-one?
13-(4-chlorophenyl)-3-methyl-10-thia-3,5,8,13,15-pentazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,4,6,8,11(16),14-hexaen-12-one has a molecular weight of 367.82 g/mol, XLogP of 3.54, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 13-(4-chlorophenyl)-3-methyl-10-thia-3,5,8,13,15-pentazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,4,6,8,11(16),14-hexaen-12-one is sourced from PubChem (CID 16659964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).