1-[(11Z)-3-fluoro-2-phenyl-5H-pyrido[3,2-c][1]benzazocin-6-yl]ethanone

C22H17FN2O — CID 11290878

IUPAC1-[(11Z)-3-fluoro-2-phenyl-5H-pyrido[3,2-c][1]benzazocin-6-yl]ethanone
SMILESCC(=O)N1Cc2cc(F)c(-c3ccccc3)nc2/C=C\c2ccccc21
InChIInChI=1S/C22H17FN2O/c1-15(26)25-14-18-13-19(23)22(17-8-3-2-4-9-17)24-20(18)12-11-16-7-5-6-10-21(16)25/h2-13H,14H2,1H3/b12-11-
InChIKeyVXLUIUPMVGIDTQ-QXMHVHEDSA-N
MW344.39 g/mol
LogP4.92
Rot. Bonds1

About 1-[(11Z)-3-fluoro-2-phenyl-5H-pyrido[3,2-c][1]benzazocin-6-yl]ethanone

1-[(11Z)-3-fluoro-2-phenyl-5H-pyrido[3,2-c][1]benzazocin-6-yl]ethanone (PubChem CID 11290878) has the molecular formula C22H17FN2O and a molecular weight of 344.39 g/mol. Its IUPAC name is 1-[(11Z)-3-fluoro-2-phenyl-5H-pyrido[3,2-c][1]benzazocin-6-yl]ethanone.

Molecular Properties

Compound Name1-[(11Z)-3-fluoro-2-phenyl-5H-pyrido[3,2-c][1]benzazocin-6-yl]ethanone
PubChem CID11290878
Molecular FormulaC22H17FN2O
Molecular Weight344.39 g/mol
Exact Mass344.13
IUPAC Name1-[(11Z)-3-fluoro-2-phenyl-5H-pyrido[3,2-c][1]benzazocin-6-yl]ethanone
SMILESCC(=O)N1Cc2cc(F)c(-c3ccccc3)nc2/C=C\c2ccccc21
InChIInChI=1S/C22H17FN2O/c1-15(26)25-14-18-13-19(23)22(17-8-3-2-4-9-17)24-20(18)12-11-16-7-5-6-10-21(16)25/h2-13H,14H2,1H3/b12-11-
InChIKeyVXLUIUPMVGIDTQ-QXMHVHEDSA-N
XLogP4.92
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(11Z)-3-fluoro-2-phenyl-5H-pyrido[3,2-c][1]benzazocin-6-yl]ethanone?
The IUPAC name of 1-[(11Z)-3-fluoro-2-phenyl-5H-pyrido[3,2-c][1]benzazocin-6-yl]ethanone (CID 11290878) is 1-[(11Z)-3-fluoro-2-phenyl-5H-pyrido[3,2-c][1]benzazocin-6-yl]ethanone.
What is the SMILES notation for 1-[(11Z)-3-fluoro-2-phenyl-5H-pyrido[3,2-c][1]benzazocin-6-yl]ethanone?
The canonical SMILES for 1-[(11Z)-3-fluoro-2-phenyl-5H-pyrido[3,2-c][1]benzazocin-6-yl]ethanone is CC(=O)N1Cc2cc(F)c(-c3ccccc3)nc2/C=C\c2ccccc21.
What is the InChIKey of 1-[(11Z)-3-fluoro-2-phenyl-5H-pyrido[3,2-c][1]benzazocin-6-yl]ethanone?
The InChIKey is VXLUIUPMVGIDTQ-QXMHVHEDSA-N. The full InChI is InChI=1S/C22H17FN2O/c1-15(26)25-14-18-13-19(23)22(17-8-3-2-4-9-17)24-20(18)12-11-16-7-5-6-10-21(16)25/h2-13H,14H2,1H3/b12-11-.
What are the key properties of 1-[(11Z)-3-fluoro-2-phenyl-5H-pyrido[3,2-c][1]benzazocin-6-yl]ethanone?
1-[(11Z)-3-fluoro-2-phenyl-5H-pyrido[3,2-c][1]benzazocin-6-yl]ethanone has a molecular weight of 344.39 g/mol, XLogP of 4.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(11Z)-3-fluoro-2-phenyl-5H-pyrido[3,2-c][1]benzazocin-6-yl]ethanone is sourced from PubChem (CID 11290878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).