1-[(11Z)-9-(6-methoxy-2-pyridinyl)-6H-benzo[c][1]benzazocin-5-yl]ethanone

C23H20N2O2 — CID 87730116

IUPAC1-[(11Z)-9-(6-methoxy-2-pyridinyl)-6H-benzo[c][1]benzazocin-5-yl]ethanone
SMILESCOc1cccc(-c2ccc3c(c2)/C=C\c2ccccc2N(C(C)=O)C3)n1
InChIInChI=1S/C23H20N2O2/c1-16(26)25-15-20-13-12-19(21-7-5-9-23(24-21)27-2)14-18(20)11-10-17-6-3-4-8-22(17)25/h3-14H,15H2,1-2H3/b11-10-
InChIKeyQQZVBGDJRKSOQZ-KHPPLWFESA-N
MW356.43 g/mol
LogP4.79
Rot. Bonds2

About 1-[(11Z)-9-(6-methoxy-2-pyridinyl)-6H-benzo[c][1]benzazocin-5-yl]ethanone

1-[(11Z)-9-(6-methoxy-2-pyridinyl)-6H-benzo[c][1]benzazocin-5-yl]ethanone (PubChem CID 87730116) has the molecular formula C23H20N2O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 1-[(11Z)-9-(6-methoxy-2-pyridinyl)-6H-benzo[c][1]benzazocin-5-yl]ethanone.

Molecular Properties

Compound Name1-[(11Z)-9-(6-methoxy-2-pyridinyl)-6H-benzo[c][1]benzazocin-5-yl]ethanone
PubChem CID87730116
Molecular FormulaC23H20N2O2
Molecular Weight356.43 g/mol
Exact Mass356.15
IUPAC Name1-[(11Z)-9-(6-methoxy-2-pyridinyl)-6H-benzo[c][1]benzazocin-5-yl]ethanone
SMILESCOc1cccc(-c2ccc3c(c2)/C=C\c2ccccc2N(C(C)=O)C3)n1
InChIInChI=1S/C23H20N2O2/c1-16(26)25-15-20-13-12-19(21-7-5-9-23(24-21)27-2)14-18(20)11-10-17-6-3-4-8-22(17)25/h3-14H,15H2,1-2H3/b11-10-
InChIKeyQQZVBGDJRKSOQZ-KHPPLWFESA-N
XLogP4.79
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(11Z)-9-(6-methoxy-2-pyridinyl)-6H-benzo[c][1]benzazocin-5-yl]ethanone?
The IUPAC name of 1-[(11Z)-9-(6-methoxy-2-pyridinyl)-6H-benzo[c][1]benzazocin-5-yl]ethanone (CID 87730116) is 1-[(11Z)-9-(6-methoxy-2-pyridinyl)-6H-benzo[c][1]benzazocin-5-yl]ethanone.
What is the SMILES notation for 1-[(11Z)-9-(6-methoxy-2-pyridinyl)-6H-benzo[c][1]benzazocin-5-yl]ethanone?
The canonical SMILES for 1-[(11Z)-9-(6-methoxy-2-pyridinyl)-6H-benzo[c][1]benzazocin-5-yl]ethanone is COc1cccc(-c2ccc3c(c2)/C=C\c2ccccc2N(C(C)=O)C3)n1.
What is the InChIKey of 1-[(11Z)-9-(6-methoxy-2-pyridinyl)-6H-benzo[c][1]benzazocin-5-yl]ethanone?
The InChIKey is QQZVBGDJRKSOQZ-KHPPLWFESA-N. The full InChI is InChI=1S/C23H20N2O2/c1-16(26)25-15-20-13-12-19(21-7-5-9-23(24-21)27-2)14-18(20)11-10-17-6-3-4-8-22(17)25/h3-14H,15H2,1-2H3/b11-10-.
What are the key properties of 1-[(11Z)-9-(6-methoxy-2-pyridinyl)-6H-benzo[c][1]benzazocin-5-yl]ethanone?
1-[(11Z)-9-(6-methoxy-2-pyridinyl)-6H-benzo[c][1]benzazocin-5-yl]ethanone has a molecular weight of 356.43 g/mol, XLogP of 4.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(11Z)-9-(6-methoxy-2-pyridinyl)-6H-benzo[c][1]benzazocin-5-yl]ethanone is sourced from PubChem (CID 87730116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).