10-hydroxy-11-methoxy-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaen-8-one

C17H13NO3 — CID 14364358

IUPAC10-hydroxy-11-methoxy-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaen-8-one
SMILESCOc1cc2c3c(c1O)C(=O)c1ccccc1C3=NCC2
InChIInChI=1S/C17H13NO3/c1-21-12-8-9-6-7-18-15-10-4-2-3-5-11(10)16(19)14(13(9)15)17(12)20/h2-5,8,20H,6-7H2,1H3
InChIKeyGJEMRFWBQJIZTR-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.34
Rot. Bonds1

About 10-hydroxy-11-methoxy-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaen-8-one

10-hydroxy-11-methoxy-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaen-8-one (PubChem CID 14364358) has the molecular formula C17H13NO3 and a molecular weight of 279.30 g/mol. Its IUPAC name is 10-hydroxy-11-methoxy-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaen-8-one.

Molecular Properties

Compound Name10-hydroxy-11-methoxy-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaen-8-one
PubChem CID14364358
Molecular FormulaC17H13NO3
Molecular Weight279.30 g/mol
Exact Mass279.09
IUPAC Name10-hydroxy-11-methoxy-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaen-8-one
SMILESCOc1cc2c3c(c1O)C(=O)c1ccccc1C3=NCC2
InChIInChI=1S/C17H13NO3/c1-21-12-8-9-6-7-18-15-10-4-2-3-5-11(10)16(19)14(13(9)15)17(12)20/h2-5,8,20H,6-7H2,1H3
InChIKeyGJEMRFWBQJIZTR-UHFFFAOYSA-N
XLogP2.34
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

Analyze 10-hydroxy-11-methoxy-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaen-8-one 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 10-hydroxy-11-methoxy-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaen-8-one?
The IUPAC name of 10-hydroxy-11-methoxy-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaen-8-one (CID 14364358) is 10-hydroxy-11-methoxy-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaen-8-one.
What is the SMILES notation for 10-hydroxy-11-methoxy-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaen-8-one?
The canonical SMILES for 10-hydroxy-11-methoxy-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaen-8-one is COc1cc2c3c(c1O)C(=O)c1ccccc1C3=NCC2.
What is the InChIKey of 10-hydroxy-11-methoxy-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaen-8-one?
The InChIKey is GJEMRFWBQJIZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO3/c1-21-12-8-9-6-7-18-15-10-4-2-3-5-11(10)16(19)14(13(9)15)17(12)20/h2-5,8,20H,6-7H2,1H3.
What are the key properties of 10-hydroxy-11-methoxy-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaen-8-one?
10-hydroxy-11-methoxy-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaen-8-one has a molecular weight of 279.30 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-hydroxy-11-methoxy-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaen-8-one is sourced from PubChem (CID 14364358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).