3-methoxy-10,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-8-one

C16H10N2O2 — CID 53262837

IUPAC3-methoxy-10,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-8-one
SMILESCOc1cccc2c1-c1nccc3ccnc(c13)C2=O
InChIInChI=1S/C16H10N2O2/c1-20-11-4-2-3-10-13(11)14-12-9(5-7-17-14)6-8-18-15(12)16(10)19/h2-8H,1H3
InChIKeyZLDFQCLGYOKBIH-UHFFFAOYSA-N
MW262.27 g/mol
LogP2.85
Rot. Bonds1

About 3-methoxy-10,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-8-one

3-methoxy-10,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-8-one (PubChem CID 53262837) has the molecular formula C16H10N2O2 and a molecular weight of 262.27 g/mol. Its IUPAC name is 3-methoxy-10,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-8-one.

Molecular Properties

Compound Name3-methoxy-10,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-8-one
PubChem CID53262837
Molecular FormulaC16H10N2O2
Molecular Weight262.27 g/mol
Exact Mass262.07
IUPAC Name3-methoxy-10,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-8-one
SMILESCOc1cccc2c1-c1nccc3ccnc(c13)C2=O
InChIInChI=1S/C16H10N2O2/c1-20-11-4-2-3-10-13(11)14-12-9(5-7-17-14)6-8-18-15(12)16(10)19/h2-8H,1H3
InChIKeyZLDFQCLGYOKBIH-UHFFFAOYSA-N
XLogP2.85
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-methoxy-10,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-8-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-10,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-8-one?
The IUPAC name of 3-methoxy-10,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-8-one (CID 53262837) is 3-methoxy-10,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-8-one.
What is the SMILES notation for 3-methoxy-10,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-8-one?
The canonical SMILES for 3-methoxy-10,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-8-one is COc1cccc2c1-c1nccc3ccnc(c13)C2=O.
What is the InChIKey of 3-methoxy-10,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-8-one?
The InChIKey is ZLDFQCLGYOKBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2O2/c1-20-11-4-2-3-10-13(11)14-12-9(5-7-17-14)6-8-18-15(12)16(10)19/h2-8H,1H3.
What are the key properties of 3-methoxy-10,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-8-one?
3-methoxy-10,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-8-one has a molecular weight of 262.27 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-10,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-8-one is sourced from PubChem (CID 53262837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).