13,13-dioxo-13λ6,16-dithia-2,10-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7-tetraen-9-one

C12H10N2O3S2 — CID 53335690

IUPAC13,13-dioxo-13λ6,16-dithia-2,10-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7-tetraen-9-one
SMILESO=c1c2ccccc2nc2n1C1CS(=O)(=O)CC1S2
InChIInChI=1S/C12H10N2O3S2/c15-11-7-3-1-2-4-8(7)13-12-14(11)9-5-19(16,17)6-10(9)18-12/h1-4,9-10H,5-6H2
InChIKeyVMJFUAZPWDJEIN-UHFFFAOYSA-N
MW294.36 g/mol
LogP0.84
Rot. Bonds

About 13,13-dioxo-13λ6,16-dithia-2,10-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7-tetraen-9-one

13,13-dioxo-13λ6,16-dithia-2,10-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7-tetraen-9-one (PubChem CID 53335690) has the molecular formula C12H10N2O3S2 and a molecular weight of 294.36 g/mol. Its IUPAC name is 13,13-dioxo-13λ6,16-dithia-2,10-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7-tetraen-9-one.

Molecular Properties

Compound Name13,13-dioxo-13λ6,16-dithia-2,10-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7-tetraen-9-one
PubChem CID53335690
Molecular FormulaC12H10N2O3S2
Molecular Weight294.36 g/mol
Exact Mass294.01
IUPAC Name13,13-dioxo-13λ6,16-dithia-2,10-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7-tetraen-9-one
SMILESO=c1c2ccccc2nc2n1C1CS(=O)(=O)CC1S2
InChIInChI=1S/C12H10N2O3S2/c15-11-7-3-1-2-4-8(7)13-12-14(11)9-5-19(16,17)6-10(9)18-12/h1-4,9-10H,5-6H2
InChIKeyVMJFUAZPWDJEIN-UHFFFAOYSA-N
XLogP0.84
TPSA69.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 13,13-dioxo-13λ6,16-dithia-2,10-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7-tetraen-9-one with MolForge

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Related Compounds

(4S,8R)-15-methoxy-6,6-dioxo-6λ6,9-dithia-3,11,19-triazapentacyclo[10.7.0.03,10.04,8.013,18]nonadeca-1(12),10,13(18),14,16-pentaen-2-one
CID 7298349
2-(chloromethyl)-3-(1,1-dioxothiolan-3-yl)quinazolin-4-one
CID 61064926
3-methylidene-[1,3]thiazolo[2,3-b]quinazolin-5-one
CID 1479805
3-(4-methylcyclohexyl)-2-methylsulfanylquinazolin-4-one
CID 154830982
(3R)-3-[(4-fluorophenyl)sulfanylmethyl]-2,3-dihydro-[1,3]thiazolo[2,3-b]quinazolin-5-one
CID 1474960
2-methyl-4H-[1,3,4]thiadiazino[2,3-b]quinazoline-3,6-dione
CID 10422071
4-methyl-2,3-dihydro-[1,3,4]thiadiazino[2,3-b]quinazolin-6-one
CID 12577138
2-(chloromethyl)-3-[(1,1-dioxothiolan-3-yl)methyl]quinazolin-4-one
CID 62131284
(3R)-3-methyl-2,3-dihydro-[1,3]oxazolo[2,3-b]quinazolin-5-one
CID 11367672
2-(1-chloroethyl)-3-(2-methylcyclopropyl)quinazolin-4-one
CID 62409793
3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoic acid
CID 7131753
3-amino-2H-[1,3,4]thiadiazino[2,3-b]quinazolin-6-one
CID 18592735

Frequently Asked Questions

What is the IUPAC name of 13,13-dioxo-13λ6,16-dithia-2,10-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7-tetraen-9-one?
The IUPAC name of 13,13-dioxo-13λ6,16-dithia-2,10-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7-tetraen-9-one (CID 53335690) is 13,13-dioxo-13λ6,16-dithia-2,10-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7-tetraen-9-one.
What is the SMILES notation for 13,13-dioxo-13λ6,16-dithia-2,10-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7-tetraen-9-one?
The canonical SMILES for 13,13-dioxo-13λ6,16-dithia-2,10-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7-tetraen-9-one is O=c1c2ccccc2nc2n1C1CS(=O)(=O)CC1S2.
What is the InChIKey of 13,13-dioxo-13λ6,16-dithia-2,10-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7-tetraen-9-one?
The InChIKey is VMJFUAZPWDJEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3S2/c15-11-7-3-1-2-4-8(7)13-12-14(11)9-5-19(16,17)6-10(9)18-12/h1-4,9-10H,5-6H2.
What are the key properties of 13,13-dioxo-13λ6,16-dithia-2,10-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7-tetraen-9-one?
13,13-dioxo-13λ6,16-dithia-2,10-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7-tetraen-9-one has a molecular weight of 294.36 g/mol, XLogP of 0.84, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 13,13-dioxo-13λ6,16-dithia-2,10-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7-tetraen-9-one is sourced from PubChem (CID 53335690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).