(11Z)-11-[3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]propylidene]-5-methylpyrido[2,3-c][2]benzazepin-6-one

C28H28ClN3O2 — CID 10151936

IUPAC(11Z)-11-[3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]propylidene]-5-methylpyrido[2,3-c][2]benzazepin-6-one
SMILESCN1C(=O)c2ccccc2/C(=C/CCN2CCC(O)(c3ccc(Cl)cc3)CC2)c2cccnc21
InChIInChI=1S/C28H28ClN3O2/c1-31-26-24(8-4-16-30-26)22(23-6-2-3-7-25(23)27(31)33)9-5-17-32-18-14-28(34,15-19-32)20-10-12-21(29)13-11-20/h2-4,6-13,16,34H,5,14-15,17-19H2,1H3/b22-9-
InChIKeyNSIOEGXVKJUVOH-AFPJDJCSSA-N
MW474.00 g/mol
LogP5.13
Rot. Bonds4

About (11Z)-11-[3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]propylidene]-5-methylpyrido[2,3-c][2]benzazepin-6-one

(11Z)-11-[3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]propylidene]-5-methylpyrido[2,3-c][2]benzazepin-6-one (PubChem CID 10151936) has the molecular formula C28H28ClN3O2 and a molecular weight of 474.00 g/mol. Its IUPAC name is (11Z)-11-[3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]propylidene]-5-methylpyrido[2,3-c][2]benzazepin-6-one.

Molecular Properties

Compound Name(11Z)-11-[3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]propylidene]-5-methylpyrido[2,3-c][2]benzazepin-6-one
PubChem CID10151936
Molecular FormulaC28H28ClN3O2
Molecular Weight474.00 g/mol
Exact Mass473.19
IUPAC Name(11Z)-11-[3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]propylidene]-5-methylpyrido[2,3-c][2]benzazepin-6-one
SMILESCN1C(=O)c2ccccc2/C(=C/CCN2CCC(O)(c3ccc(Cl)cc3)CC2)c2cccnc21
InChIInChI=1S/C28H28ClN3O2/c1-31-26-24(8-4-16-30-26)22(23-6-2-3-7-25(23)27(31)33)9-5-17-32-18-14-28(34,15-19-32)20-10-12-21(29)13-11-20/h2-4,6-13,16,34H,5,14-15,17-19H2,1H3/b22-9-
InChIKeyNSIOEGXVKJUVOH-AFPJDJCSSA-N
XLogP5.13
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.00
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (11Z)-11-[3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]propylidene]-5-methylpyrido[2,3-c][2]benzazepin-6-one?
The IUPAC name of (11Z)-11-[3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]propylidene]-5-methylpyrido[2,3-c][2]benzazepin-6-one (CID 10151936) is (11Z)-11-[3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]propylidene]-5-methylpyrido[2,3-c][2]benzazepin-6-one.
What is the SMILES notation for (11Z)-11-[3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]propylidene]-5-methylpyrido[2,3-c][2]benzazepin-6-one?
The canonical SMILES for (11Z)-11-[3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]propylidene]-5-methylpyrido[2,3-c][2]benzazepin-6-one is CN1C(=O)c2ccccc2/C(=C/CCN2CCC(O)(c3ccc(Cl)cc3)CC2)c2cccnc21.
What is the InChIKey of (11Z)-11-[3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]propylidene]-5-methylpyrido[2,3-c][2]benzazepin-6-one?
The InChIKey is NSIOEGXVKJUVOH-AFPJDJCSSA-N. The full InChI is InChI=1S/C28H28ClN3O2/c1-31-26-24(8-4-16-30-26)22(23-6-2-3-7-25(23)27(31)33)9-5-17-32-18-14-28(34,15-19-32)20-10-12-21(29)13-11-20/h2-4,6-13,16,34H,5,14-15,17-19H2,1H3/b22-9-.
What are the key properties of (11Z)-11-[3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]propylidene]-5-methylpyrido[2,3-c][2]benzazepin-6-one?
(11Z)-11-[3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]propylidene]-5-methylpyrido[2,3-c][2]benzazepin-6-one has a molecular weight of 474.00 g/mol, XLogP of 5.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (11Z)-11-[3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]propylidene]-5-methylpyrido[2,3-c][2]benzazepin-6-one is sourced from PubChem (CID 10151936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).