(11Z)-13-deuterio-5,7-dimethyl-9-oxa-5,7-diazatetracyclo[12.4.1.02,10.03,8]nonadeca-1(18),2(10),3(8),11,14,16-hexaene-4,6-dione

C18H16N2O3 — CID 11392711

IUPAC(11Z)-13-deuterio-5,7-dimethyl-9-oxa-5,7-diazatetracyclo[12.4.1.02,10.03,8]nonadeca-1(18),2(10),3(8),11,14,16-hexaene-4,6-dione
SMILES[2H]C1/C=C\c2oc3c(c2C2=CC=CC=C1C2)c(=O)n(C)c(=O)n3C
InChIInChI=1S/C18H16N2O3/c1-19-16(21)15-14-12-8-4-3-6-11(10-12)7-5-9-13(14)23-17(15)20(2)18(19)22/h3-6,8-9H,7,10H2,1-2H3/b9-5-/i7D
InChIKeyLLECLZSZCDHJGO-NSTSQMSWSA-N
MW309.34 g/mol
LogP2.52
Rot. Bonds

About (11Z)-13-deuterio-5,7-dimethyl-9-oxa-5,7-diazatetracyclo[12.4.1.02,10.03,8]nonadeca-1(18),2(10),3(8),11,14,16-hexaene-4,6-dione

(11Z)-13-deuterio-5,7-dimethyl-9-oxa-5,7-diazatetracyclo[12.4.1.02,10.03,8]nonadeca-1(18),2(10),3(8),11,14,16-hexaene-4,6-dione (PubChem CID 11392711) has the molecular formula C18H16N2O3 and a molecular weight of 309.34 g/mol. Its IUPAC name is (11Z)-13-deuterio-5,7-dimethyl-9-oxa-5,7-diazatetracyclo[12.4.1.02,10.03,8]nonadeca-1(18),2(10),3(8),11,14,16-hexaene-4,6-dione.

Molecular Properties

Compound Name(11Z)-13-deuterio-5,7-dimethyl-9-oxa-5,7-diazatetracyclo[12.4.1.02,10.03,8]nonadeca-1(18),2(10),3(8),11,14,16-hexaene-4,6-dione
PubChem CID11392711
Molecular FormulaC18H16N2O3
Molecular Weight309.34 g/mol
Exact Mass309.12
IUPAC Name(11Z)-13-deuterio-5,7-dimethyl-9-oxa-5,7-diazatetracyclo[12.4.1.02,10.03,8]nonadeca-1(18),2(10),3(8),11,14,16-hexaene-4,6-dione
SMILES[2H]C1/C=C\c2oc3c(c2C2=CC=CC=C1C2)c(=O)n(C)c(=O)n3C
InChIInChI=1S/C18H16N2O3/c1-19-16(21)15-14-12-8-4-3-6-11(10-12)7-5-9-13(14)23-17(15)20(2)18(19)22/h3-6,8-9H,7,10H2,1-2H3/b9-5-/i7D
InChIKeyLLECLZSZCDHJGO-NSTSQMSWSA-N
XLogP2.52
TPSA57.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (11Z)-13-deuterio-5,7-dimethyl-9-oxa-5,7-diazatetracyclo[12.4.1.02,10.03,8]nonadeca-1(18),2(10),3(8),11,14,16-hexaene-4,6-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (11Z)-13-deuterio-5,7-dimethyl-9-oxa-5,7-diazatetracyclo[12.4.1.02,10.03,8]nonadeca-1(18),2(10),3(8),11,14,16-hexaene-4,6-dione?
The IUPAC name of (11Z)-13-deuterio-5,7-dimethyl-9-oxa-5,7-diazatetracyclo[12.4.1.02,10.03,8]nonadeca-1(18),2(10),3(8),11,14,16-hexaene-4,6-dione (CID 11392711) is (11Z)-13-deuterio-5,7-dimethyl-9-oxa-5,7-diazatetracyclo[12.4.1.02,10.03,8]nonadeca-1(18),2(10),3(8),11,14,16-hexaene-4,6-dione.
What is the SMILES notation for (11Z)-13-deuterio-5,7-dimethyl-9-oxa-5,7-diazatetracyclo[12.4.1.02,10.03,8]nonadeca-1(18),2(10),3(8),11,14,16-hexaene-4,6-dione?
The canonical SMILES for (11Z)-13-deuterio-5,7-dimethyl-9-oxa-5,7-diazatetracyclo[12.4.1.02,10.03,8]nonadeca-1(18),2(10),3(8),11,14,16-hexaene-4,6-dione is [2H]C1/C=C\c2oc3c(c2C2=CC=CC=C1C2)c(=O)n(C)c(=O)n3C.
What is the InChIKey of (11Z)-13-deuterio-5,7-dimethyl-9-oxa-5,7-diazatetracyclo[12.4.1.02,10.03,8]nonadeca-1(18),2(10),3(8),11,14,16-hexaene-4,6-dione?
The InChIKey is LLECLZSZCDHJGO-NSTSQMSWSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-19-16(21)15-14-12-8-4-3-6-11(10-12)7-5-9-13(14)23-17(15)20(2)18(19)22/h3-6,8-9H,7,10H2,1-2H3/b9-5-/i7D.
What are the key properties of (11Z)-13-deuterio-5,7-dimethyl-9-oxa-5,7-diazatetracyclo[12.4.1.02,10.03,8]nonadeca-1(18),2(10),3(8),11,14,16-hexaene-4,6-dione?
(11Z)-13-deuterio-5,7-dimethyl-9-oxa-5,7-diazatetracyclo[12.4.1.02,10.03,8]nonadeca-1(18),2(10),3(8),11,14,16-hexaene-4,6-dione has a molecular weight of 309.34 g/mol, XLogP of 2.52, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (11Z)-13-deuterio-5,7-dimethyl-9-oxa-5,7-diazatetracyclo[12.4.1.02,10.03,8]nonadeca-1(18),2(10),3(8),11,14,16-hexaene-4,6-dione is sourced from PubChem (CID 11392711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).