7-(2-hydroxyethyl)-12-methoxy-2,7-diazatricyclo[7.3.1.05,13]trideca-1(12),2,4,9(13),10-pentaene-6,8-dione

C14H12N2O4 — CID 132534945

IUPAC7-(2-hydroxyethyl)-12-methoxy-2,7-diazatricyclo[7.3.1.05,13]trideca-1(12),2,4,9(13),10-pentaene-6,8-dione
SMILESCOc1ccc2c3c(ccnc13)C(=O)N(CCO)C2=O
InChIInChI=1S/C14H12N2O4/c1-20-10-3-2-8-11-9(4-5-15-12(10)11)14(19)16(6-7-17)13(8)18/h2-5,17H,6-7H2,1H3
InChIKeyRHQIVYMGAAUOTM-UHFFFAOYSA-N
MW272.26 g/mol
LogP0.83
Rot. Bonds3

About 7-(2-hydroxyethyl)-12-methoxy-2,7-diazatricyclo[7.3.1.05,13]trideca-1(12),2,4,9(13),10-pentaene-6,8-dione

7-(2-hydroxyethyl)-12-methoxy-2,7-diazatricyclo[7.3.1.05,13]trideca-1(12),2,4,9(13),10-pentaene-6,8-dione (PubChem CID 132534945) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is 7-(2-hydroxyethyl)-12-methoxy-2,7-diazatricyclo[7.3.1.05,13]trideca-1(12),2,4,9(13),10-pentaene-6,8-dione.

Molecular Properties

Compound Name7-(2-hydroxyethyl)-12-methoxy-2,7-diazatricyclo[7.3.1.05,13]trideca-1(12),2,4,9(13),10-pentaene-6,8-dione
PubChem CID132534945
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC Name7-(2-hydroxyethyl)-12-methoxy-2,7-diazatricyclo[7.3.1.05,13]trideca-1(12),2,4,9(13),10-pentaene-6,8-dione
SMILESCOc1ccc2c3c(ccnc13)C(=O)N(CCO)C2=O
InChIInChI=1S/C14H12N2O4/c1-20-10-3-2-8-11-9(4-5-15-12(10)11)14(19)16(6-7-17)13(8)18/h2-5,17H,6-7H2,1H3
InChIKeyRHQIVYMGAAUOTM-UHFFFAOYSA-N
XLogP0.83
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-(2-hydroxyethyl)-12-methoxy-2,7-diazatricyclo[7.3.1.05,13]trideca-1(12),2,4,9(13),10-pentaene-6,8-dione?
The IUPAC name of 7-(2-hydroxyethyl)-12-methoxy-2,7-diazatricyclo[7.3.1.05,13]trideca-1(12),2,4,9(13),10-pentaene-6,8-dione (CID 132534945) is 7-(2-hydroxyethyl)-12-methoxy-2,7-diazatricyclo[7.3.1.05,13]trideca-1(12),2,4,9(13),10-pentaene-6,8-dione.
What is the SMILES notation for 7-(2-hydroxyethyl)-12-methoxy-2,7-diazatricyclo[7.3.1.05,13]trideca-1(12),2,4,9(13),10-pentaene-6,8-dione?
The canonical SMILES for 7-(2-hydroxyethyl)-12-methoxy-2,7-diazatricyclo[7.3.1.05,13]trideca-1(12),2,4,9(13),10-pentaene-6,8-dione is COc1ccc2c3c(ccnc13)C(=O)N(CCO)C2=O.
What is the InChIKey of 7-(2-hydroxyethyl)-12-methoxy-2,7-diazatricyclo[7.3.1.05,13]trideca-1(12),2,4,9(13),10-pentaene-6,8-dione?
The InChIKey is RHQIVYMGAAUOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4/c1-20-10-3-2-8-11-9(4-5-15-12(10)11)14(19)16(6-7-17)13(8)18/h2-5,17H,6-7H2,1H3.
What are the key properties of 7-(2-hydroxyethyl)-12-methoxy-2,7-diazatricyclo[7.3.1.05,13]trideca-1(12),2,4,9(13),10-pentaene-6,8-dione?
7-(2-hydroxyethyl)-12-methoxy-2,7-diazatricyclo[7.3.1.05,13]trideca-1(12),2,4,9(13),10-pentaene-6,8-dione has a molecular weight of 272.26 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-hydroxyethyl)-12-methoxy-2,7-diazatricyclo[7.3.1.05,13]trideca-1(12),2,4,9(13),10-pentaene-6,8-dione is sourced from PubChem (CID 132534945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).