12-ethyl-2,15-dimethyl-9-oxa-5,12-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(17),2,10(18),11(16),14-pentaene-4,13-dione

C19H20N2O3 — CID 155533218

IUPAC12-ethyl-2,15-dimethyl-9-oxa-5,12-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(17),2,10(18),11(16),14-pentaene-4,13-dione
SMILESCCn1c(=O)cc(C)c2cc3c(C)cc(=O)n4c3c(c21)OCCC4
InChIInChI=1S/C19H20N2O3/c1-4-20-15(22)8-11(2)13-10-14-12(3)9-16(23)21-6-5-7-24-19(17(13)20)18(14)21/h8-10H,4-7H2,1-3H3
InChIKeyBNDFIMXVLUCMEE-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.74
Rot. Bonds1

About 12-ethyl-2,15-dimethyl-9-oxa-5,12-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(17),2,10(18),11(16),14-pentaene-4,13-dione

12-ethyl-2,15-dimethyl-9-oxa-5,12-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(17),2,10(18),11(16),14-pentaene-4,13-dione (PubChem CID 155533218) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 12-ethyl-2,15-dimethyl-9-oxa-5,12-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(17),2,10(18),11(16),14-pentaene-4,13-dione.

Molecular Properties

Compound Name12-ethyl-2,15-dimethyl-9-oxa-5,12-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(17),2,10(18),11(16),14-pentaene-4,13-dione
PubChem CID155533218
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name12-ethyl-2,15-dimethyl-9-oxa-5,12-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(17),2,10(18),11(16),14-pentaene-4,13-dione
SMILESCCn1c(=O)cc(C)c2cc3c(C)cc(=O)n4c3c(c21)OCCC4
InChIInChI=1S/C19H20N2O3/c1-4-20-15(22)8-11(2)13-10-14-12(3)9-16(23)21-6-5-7-24-19(17(13)20)18(14)21/h8-10H,4-7H2,1-3H3
InChIKeyBNDFIMXVLUCMEE-UHFFFAOYSA-N
XLogP2.74
TPSA53.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 12-ethyl-2,15-dimethyl-9-oxa-5,12-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(17),2,10(18),11(16),14-pentaene-4,13-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 12-ethyl-2,15-dimethyl-9-oxa-5,12-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(17),2,10(18),11(16),14-pentaene-4,13-dione?
The IUPAC name of 12-ethyl-2,15-dimethyl-9-oxa-5,12-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(17),2,10(18),11(16),14-pentaene-4,13-dione (CID 155533218) is 12-ethyl-2,15-dimethyl-9-oxa-5,12-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(17),2,10(18),11(16),14-pentaene-4,13-dione.
What is the SMILES notation for 12-ethyl-2,15-dimethyl-9-oxa-5,12-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(17),2,10(18),11(16),14-pentaene-4,13-dione?
The canonical SMILES for 12-ethyl-2,15-dimethyl-9-oxa-5,12-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(17),2,10(18),11(16),14-pentaene-4,13-dione is CCn1c(=O)cc(C)c2cc3c(C)cc(=O)n4c3c(c21)OCCC4.
What is the InChIKey of 12-ethyl-2,15-dimethyl-9-oxa-5,12-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(17),2,10(18),11(16),14-pentaene-4,13-dione?
The InChIKey is BNDFIMXVLUCMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-4-20-15(22)8-11(2)13-10-14-12(3)9-16(23)21-6-5-7-24-19(17(13)20)18(14)21/h8-10H,4-7H2,1-3H3.
What are the key properties of 12-ethyl-2,15-dimethyl-9-oxa-5,12-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(17),2,10(18),11(16),14-pentaene-4,13-dione?
12-ethyl-2,15-dimethyl-9-oxa-5,12-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(17),2,10(18),11(16),14-pentaene-4,13-dione has a molecular weight of 324.38 g/mol, XLogP of 2.74, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 12-ethyl-2,15-dimethyl-9-oxa-5,12-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(17),2,10(18),11(16),14-pentaene-4,13-dione is sourced from PubChem (CID 155533218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).