2-(4-chlorophenyl)-8-piperazin-1-yl-5,10-dihydrofuro[2,3-c][1]benzazepin-4-one

C22H20ClN3O2 — CID 53251635

IUPAC2-(4-chlorophenyl)-8-piperazin-1-yl-5,10-dihydrofuro[2,3-c][1]benzazepin-4-one
SMILESO=C1Nc2ccc(N3CCNCC3)cc2Cc2cc(-c3ccc(Cl)cc3)oc21
InChIInChI=1S/C22H20ClN3O2/c23-17-3-1-14(2-4-17)20-13-16-11-15-12-18(26-9-7-24-8-10-26)5-6-19(15)25-22(27)21(16)28-20/h1-6,12-13,24H,7-11H2,(H,25,27)
InChIKeyFUZHDIGYHQYSHU-UHFFFAOYSA-N
MW393.87 g/mol
LogP4.17
Rot. Bonds2

About 2-(4-chlorophenyl)-8-piperazin-1-yl-5,10-dihydrofuro[2,3-c][1]benzazepin-4-one

2-(4-chlorophenyl)-8-piperazin-1-yl-5,10-dihydrofuro[2,3-c][1]benzazepin-4-one (PubChem CID 53251635) has the molecular formula C22H20ClN3O2 and a molecular weight of 393.87 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-8-piperazin-1-yl-5,10-dihydrofuro[2,3-c][1]benzazepin-4-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-8-piperazin-1-yl-5,10-dihydrofuro[2,3-c][1]benzazepin-4-one
PubChem CID53251635
Molecular FormulaC22H20ClN3O2
Molecular Weight393.87 g/mol
Exact Mass393.12
IUPAC Name2-(4-chlorophenyl)-8-piperazin-1-yl-5,10-dihydrofuro[2,3-c][1]benzazepin-4-one
SMILESO=C1Nc2ccc(N3CCNCC3)cc2Cc2cc(-c3ccc(Cl)cc3)oc21
InChIInChI=1S/C22H20ClN3O2/c23-17-3-1-14(2-4-17)20-13-16-11-15-12-18(26-9-7-24-8-10-26)5-6-19(15)25-22(27)21(16)28-20/h1-6,12-13,24H,7-11H2,(H,25,27)
InChIKeyFUZHDIGYHQYSHU-UHFFFAOYSA-N
XLogP4.17
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.87
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-8-piperazin-1-yl-5,10-dihydrofuro[2,3-c][1]benzazepin-4-one?
The IUPAC name of 2-(4-chlorophenyl)-8-piperazin-1-yl-5,10-dihydrofuro[2,3-c][1]benzazepin-4-one (CID 53251635) is 2-(4-chlorophenyl)-8-piperazin-1-yl-5,10-dihydrofuro[2,3-c][1]benzazepin-4-one.
What is the SMILES notation for 2-(4-chlorophenyl)-8-piperazin-1-yl-5,10-dihydrofuro[2,3-c][1]benzazepin-4-one?
The canonical SMILES for 2-(4-chlorophenyl)-8-piperazin-1-yl-5,10-dihydrofuro[2,3-c][1]benzazepin-4-one is O=C1Nc2ccc(N3CCNCC3)cc2Cc2cc(-c3ccc(Cl)cc3)oc21.
What is the InChIKey of 2-(4-chlorophenyl)-8-piperazin-1-yl-5,10-dihydrofuro[2,3-c][1]benzazepin-4-one?
The InChIKey is FUZHDIGYHQYSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O2/c23-17-3-1-14(2-4-17)20-13-16-11-15-12-18(26-9-7-24-8-10-26)5-6-19(15)25-22(27)21(16)28-20/h1-6,12-13,24H,7-11H2,(H,25,27).
What are the key properties of 2-(4-chlorophenyl)-8-piperazin-1-yl-5,10-dihydrofuro[2,3-c][1]benzazepin-4-one?
2-(4-chlorophenyl)-8-piperazin-1-yl-5,10-dihydrofuro[2,3-c][1]benzazepin-4-one has a molecular weight of 393.87 g/mol, XLogP of 4.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-8-piperazin-1-yl-5,10-dihydrofuro[2,3-c][1]benzazepin-4-one is sourced from PubChem (CID 53251635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).