3-ethyl-6,10-dimethyl-15-oxa-3,13-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2(7),5,8,10-pentaene-4,12-dione

C17H16N2O3 — CID 91886067

IUPAC3-ethyl-6,10-dimethyl-15-oxa-3,13-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2(7),5,8,10-pentaene-4,12-dione
SMILESCCn1c(=O)cc(C)c2cc3c(C)cc(=O)n4c3c(c21)OC4
InChIInChI=1S/C17H16N2O3/c1-4-18-13(20)5-9(2)11-7-12-10(3)6-14(21)19-8-22-17(15(11)18)16(12)19/h5-7H,4,8H2,1-3H3
InChIKeyCLFGYIMAZCFMED-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.30
Rot. Bonds1

About 3-ethyl-6,10-dimethyl-15-oxa-3,13-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2(7),5,8,10-pentaene-4,12-dione

3-ethyl-6,10-dimethyl-15-oxa-3,13-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2(7),5,8,10-pentaene-4,12-dione (PubChem CID 91886067) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 3-ethyl-6,10-dimethyl-15-oxa-3,13-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2(7),5,8,10-pentaene-4,12-dione.

Molecular Properties

Compound Name3-ethyl-6,10-dimethyl-15-oxa-3,13-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2(7),5,8,10-pentaene-4,12-dione
PubChem CID91886067
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name3-ethyl-6,10-dimethyl-15-oxa-3,13-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2(7),5,8,10-pentaene-4,12-dione
SMILESCCn1c(=O)cc(C)c2cc3c(C)cc(=O)n4c3c(c21)OC4
InChIInChI=1S/C17H16N2O3/c1-4-18-13(20)5-9(2)11-7-12-10(3)6-14(21)19-8-22-17(15(11)18)16(12)19/h5-7H,4,8H2,1-3H3
InChIKeyCLFGYIMAZCFMED-UHFFFAOYSA-N
XLogP2.30
TPSA53.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-ethyl-6,10-dimethyl-15-oxa-3,13-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2(7),5,8,10-pentaene-4,12-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6,10-dimethyl-15-oxa-3,13-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2(7),5,8,10-pentaene-4,12-dione?
The IUPAC name of 3-ethyl-6,10-dimethyl-15-oxa-3,13-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2(7),5,8,10-pentaene-4,12-dione (CID 91886067) is 3-ethyl-6,10-dimethyl-15-oxa-3,13-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2(7),5,8,10-pentaene-4,12-dione.
What is the SMILES notation for 3-ethyl-6,10-dimethyl-15-oxa-3,13-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2(7),5,8,10-pentaene-4,12-dione?
The canonical SMILES for 3-ethyl-6,10-dimethyl-15-oxa-3,13-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2(7),5,8,10-pentaene-4,12-dione is CCn1c(=O)cc(C)c2cc3c(C)cc(=O)n4c3c(c21)OC4.
What is the InChIKey of 3-ethyl-6,10-dimethyl-15-oxa-3,13-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2(7),5,8,10-pentaene-4,12-dione?
The InChIKey is CLFGYIMAZCFMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-4-18-13(20)5-9(2)11-7-12-10(3)6-14(21)19-8-22-17(15(11)18)16(12)19/h5-7H,4,8H2,1-3H3.
What are the key properties of 3-ethyl-6,10-dimethyl-15-oxa-3,13-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2(7),5,8,10-pentaene-4,12-dione?
3-ethyl-6,10-dimethyl-15-oxa-3,13-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2(7),5,8,10-pentaene-4,12-dione has a molecular weight of 296.33 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6,10-dimethyl-15-oxa-3,13-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2(7),5,8,10-pentaene-4,12-dione is sourced from PubChem (CID 91886067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).