(3Z)-3-[(4-chlorophenyl)methylidene]-1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]indol-2-one

C28H27Cl2N3O — CID 10051324

IUPAC(3Z)-3-[(4-chlorophenyl)methylidene]-1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]indol-2-one
SMILESO=C1/C(=C\c2ccc(Cl)cc2)c2ccccc2N1CCCN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C28H27Cl2N3O/c29-22-11-9-21(10-12-22)19-26-25-7-1-2-8-27(25)33(28(26)34)14-4-13-31-15-17-32(18-16-31)24-6-3-5-23(30)20-24/h1-3,5-12,19-20H,4,13-18H2/b26-19-
InChIKeyFPIITTSILJWFFP-XHPQRKPJSA-N
MW492.45 g/mol
LogP6.09
Rot. Bonds6

About (3Z)-3-[(4-chlorophenyl)methylidene]-1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]indol-2-one

(3Z)-3-[(4-chlorophenyl)methylidene]-1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]indol-2-one (PubChem CID 10051324) has the molecular formula C28H27Cl2N3O and a molecular weight of 492.45 g/mol. Its IUPAC name is (3Z)-3-[(4-chlorophenyl)methylidene]-1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]indol-2-one.

Molecular Properties

Compound Name(3Z)-3-[(4-chlorophenyl)methylidene]-1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]indol-2-one
PubChem CID10051324
Molecular FormulaC28H27Cl2N3O
Molecular Weight492.45 g/mol
Exact Mass491.15
IUPAC Name(3Z)-3-[(4-chlorophenyl)methylidene]-1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]indol-2-one
SMILESO=C1/C(=C\c2ccc(Cl)cc2)c2ccccc2N1CCCN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C28H27Cl2N3O/c29-22-11-9-21(10-12-22)19-26-25-7-1-2-8-27(25)33(28(26)34)14-4-13-31-15-17-32(18-16-31)24-6-3-5-23(30)20-24/h1-3,5-12,19-20H,4,13-18H2/b26-19-
InChIKeyFPIITTSILJWFFP-XHPQRKPJSA-N
XLogP6.09
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.45
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(4-chlorophenyl)methylidene]-1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]indol-2-one?
The IUPAC name of (3Z)-3-[(4-chlorophenyl)methylidene]-1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]indol-2-one (CID 10051324) is (3Z)-3-[(4-chlorophenyl)methylidene]-1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]indol-2-one.
What is the SMILES notation for (3Z)-3-[(4-chlorophenyl)methylidene]-1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]indol-2-one?
The canonical SMILES for (3Z)-3-[(4-chlorophenyl)methylidene]-1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]indol-2-one is O=C1/C(=C\c2ccc(Cl)cc2)c2ccccc2N1CCCN1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of (3Z)-3-[(4-chlorophenyl)methylidene]-1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]indol-2-one?
The InChIKey is FPIITTSILJWFFP-XHPQRKPJSA-N. The full InChI is InChI=1S/C28H27Cl2N3O/c29-22-11-9-21(10-12-22)19-26-25-7-1-2-8-27(25)33(28(26)34)14-4-13-31-15-17-32(18-16-31)24-6-3-5-23(30)20-24/h1-3,5-12,19-20H,4,13-18H2/b26-19-.
What are the key properties of (3Z)-3-[(4-chlorophenyl)methylidene]-1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]indol-2-one?
(3Z)-3-[(4-chlorophenyl)methylidene]-1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]indol-2-one has a molecular weight of 492.45 g/mol, XLogP of 6.09, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(4-chlorophenyl)methylidene]-1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]indol-2-one is sourced from PubChem (CID 10051324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).