14-thia-8,11,12,16-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,12,15-hexaen-10-one

C11H6N4OS — CID 3088108

IUPAC14-thia-8,11,12,16-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,12,15-hexaen-10-one
SMILESO=c1c2[nH]c3ccccc3c2nc2scnn12
InChIInChI=1S/C11H6N4OS/c16-10-9-8(14-11-15(10)12-5-17-11)6-3-1-2-4-7(6)13-9/h1-5,13H
InChIKeyBEPWWKQOCLWXFC-UHFFFAOYSA-N
MW242.26 g/mol
LogP1.79
Rot. Bonds

About 14-thia-8,11,12,16-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,12,15-hexaen-10-one

14-thia-8,11,12,16-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,12,15-hexaen-10-one (PubChem CID 3088108) has the molecular formula C11H6N4OS and a molecular weight of 242.26 g/mol. Its IUPAC name is 14-thia-8,11,12,16-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,12,15-hexaen-10-one.

Molecular Properties

Compound Name14-thia-8,11,12,16-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,12,15-hexaen-10-one
PubChem CID3088108
Molecular FormulaC11H6N4OS
Molecular Weight242.26 g/mol
Exact Mass242.03
IUPAC Name14-thia-8,11,12,16-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,12,15-hexaen-10-one
SMILESO=c1c2[nH]c3ccccc3c2nc2scnn12
InChIInChI=1S/C11H6N4OS/c16-10-9-8(14-11-15(10)12-5-17-11)6-3-1-2-4-7(6)13-9/h1-5,13H
InChIKeyBEPWWKQOCLWXFC-UHFFFAOYSA-N
XLogP1.79
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.26
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 14-thia-8,11,12,16-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,12,15-hexaen-10-one with MolForge

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Related Compounds

potassium 3-amino-4-oxo-5H-pyrimido[5,4-b]indole-2-thiolate
CID 10707185
13-phenyl-14-thia-8,11,12,16-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,12,15-hexaene-10-thione
CID 10830570
2-[(3-ethyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide
CID 7501486
3-[(Z)-benzylideneamino]-2-methyl-5H-pyrimido[5,4-b]indol-4-one
CID 5408888
13-amino-4-methoxy-14-thia-8,11,12,16-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5,12,15-hexaen-10-one
CID 5305197
3-ethyl-2-(2-hydroxyethylsulfanyl)-5H-pyrimido[5,4-b]indol-4-one
CID 7501474
2-[[3-(2-fluorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetic acid
CID 7501369
3-ethyl-2-phenacylsulfanyl-5H-pyrimido[5,4-b]indol-4-one
CID 7501565
3-(2-fluorophenyl)-2-(2-oxopropylsulfanyl)-5H-pyrimido[5,4-b]indol-4-one
CID 7501370
2-[(4-oxo-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetate
CID 7501750
(2S)-2-[(3-ethyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]butanoic acid
CID 7501562
3-oxo-2-phenyl-5H-pyridazino[4,3-b]indole-4-carboxylic acid
CID 136691479

Frequently Asked Questions

What is the IUPAC name of 14-thia-8,11,12,16-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,12,15-hexaen-10-one?
The IUPAC name of 14-thia-8,11,12,16-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,12,15-hexaen-10-one (CID 3088108) is 14-thia-8,11,12,16-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,12,15-hexaen-10-one.
What is the SMILES notation for 14-thia-8,11,12,16-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,12,15-hexaen-10-one?
The canonical SMILES for 14-thia-8,11,12,16-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,12,15-hexaen-10-one is O=c1c2[nH]c3ccccc3c2nc2scnn12.
What is the InChIKey of 14-thia-8,11,12,16-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,12,15-hexaen-10-one?
The InChIKey is BEPWWKQOCLWXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6N4OS/c16-10-9-8(14-11-15(10)12-5-17-11)6-3-1-2-4-7(6)13-9/h1-5,13H.
What are the key properties of 14-thia-8,11,12,16-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,12,15-hexaen-10-one?
14-thia-8,11,12,16-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,12,15-hexaen-10-one has a molecular weight of 242.26 g/mol, XLogP of 1.79, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 14-thia-8,11,12,16-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,12,15-hexaen-10-one is sourced from PubChem (CID 3088108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).