(9S)-13,14-dimethoxy-4-methyl-1,4,5,8-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-2,5,10(15),11,13-pentaene-7,16-dione

C15H14N4O4 — CID 935182

IUPAC(9S)-13,14-dimethoxy-4-methyl-1,4,5,8-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-2,5,10(15),11,13-pentaene-7,16-dione
SMILESCOc1ccc2c(c1OC)C(=O)N1c3cn(C)nc3C(=O)N[C@H]21
InChIInChI=1S/C15H14N4O4/c1-18-6-8-11(17-18)14(20)16-13-7-4-5-9(22-2)12(23-3)10(7)15(21)19(8)13/h4-6,13H,1-3H3,(H,16,20)/t13-/m0/s1
InChIKeyZOSISIBBXAITHG-ZDUSSCGKSA-N
MW314.30 g/mol
LogP0.84
Rot. Bonds2

About (9S)-13,14-dimethoxy-4-methyl-1,4,5,8-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-2,5,10(15),11,13-pentaene-7,16-dione

(9S)-13,14-dimethoxy-4-methyl-1,4,5,8-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-2,5,10(15),11,13-pentaene-7,16-dione (PubChem CID 935182) has the molecular formula C15H14N4O4 and a molecular weight of 314.30 g/mol. Its IUPAC name is (9S)-13,14-dimethoxy-4-methyl-1,4,5,8-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-2,5,10(15),11,13-pentaene-7,16-dione.

Molecular Properties

Compound Name(9S)-13,14-dimethoxy-4-methyl-1,4,5,8-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-2,5,10(15),11,13-pentaene-7,16-dione
PubChem CID935182
Molecular FormulaC15H14N4O4
Molecular Weight314.30 g/mol
Exact Mass314.10
IUPAC Name(9S)-13,14-dimethoxy-4-methyl-1,4,5,8-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-2,5,10(15),11,13-pentaene-7,16-dione
SMILESCOc1ccc2c(c1OC)C(=O)N1c3cn(C)nc3C(=O)N[C@H]21
InChIInChI=1S/C15H14N4O4/c1-18-6-8-11(17-18)14(20)16-13-7-4-5-9(22-2)12(23-3)10(7)15(21)19(8)13/h4-6,13H,1-3H3,(H,16,20)/t13-/m0/s1
InChIKeyZOSISIBBXAITHG-ZDUSSCGKSA-N
XLogP0.84
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (9S)-13,14-dimethoxy-4-methyl-1,4,5,8-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-2,5,10(15),11,13-pentaene-7,16-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (9S)-13,14-dimethoxy-4-methyl-1,4,5,8-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-2,5,10(15),11,13-pentaene-7,16-dione?
The IUPAC name of (9S)-13,14-dimethoxy-4-methyl-1,4,5,8-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-2,5,10(15),11,13-pentaene-7,16-dione (CID 935182) is (9S)-13,14-dimethoxy-4-methyl-1,4,5,8-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-2,5,10(15),11,13-pentaene-7,16-dione.
What is the SMILES notation for (9S)-13,14-dimethoxy-4-methyl-1,4,5,8-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-2,5,10(15),11,13-pentaene-7,16-dione?
The canonical SMILES for (9S)-13,14-dimethoxy-4-methyl-1,4,5,8-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-2,5,10(15),11,13-pentaene-7,16-dione is COc1ccc2c(c1OC)C(=O)N1c3cn(C)nc3C(=O)N[C@H]21.
What is the InChIKey of (9S)-13,14-dimethoxy-4-methyl-1,4,5,8-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-2,5,10(15),11,13-pentaene-7,16-dione?
The InChIKey is ZOSISIBBXAITHG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H14N4O4/c1-18-6-8-11(17-18)14(20)16-13-7-4-5-9(22-2)12(23-3)10(7)15(21)19(8)13/h4-6,13H,1-3H3,(H,16,20)/t13-/m0/s1.
What are the key properties of (9S)-13,14-dimethoxy-4-methyl-1,4,5,8-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-2,5,10(15),11,13-pentaene-7,16-dione?
(9S)-13,14-dimethoxy-4-methyl-1,4,5,8-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-2,5,10(15),11,13-pentaene-7,16-dione has a molecular weight of 314.30 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (9S)-13,14-dimethoxy-4-methyl-1,4,5,8-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-2,5,10(15),11,13-pentaene-7,16-dione is sourced from PubChem (CID 935182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).