(5'Z)-1-benzyl-5'-[(4-chlorophenyl)methylidene]-6-(dimethylamino)-4-methoxyspiro[indole-3,2'-oxolane]-2-one

C28H27ClN2O3 — CID 163964675

IUPAC(5'Z)-1-benzyl-5'-[(4-chlorophenyl)methylidene]-6-(dimethylamino)-4-methoxyspiro[indole-3,2'-oxolane]-2-one
SMILESCOc1cc(N(C)C)cc2c1C1(CC/C(=C/c3ccc(Cl)cc3)O1)C(=O)N2Cc1ccccc1
InChIInChI=1S/C28H27ClN2O3/c1-30(2)22-16-24-26(25(17-22)33-3)28(27(32)31(24)18-20-7-5-4-6-8-20)14-13-23(34-28)15-19-9-11-21(29)12-10-19/h4-12,15-17H,13-14,18H2,1-3H3/b23-15-
InChIKeySKQBELPSYNWASB-HAHDFKILSA-N
MW474.99 g/mol
LogP6.01
Rot. Bonds5

About (5'Z)-1-benzyl-5'-[(4-chlorophenyl)methylidene]-6-(dimethylamino)-4-methoxyspiro[indole-3,2'-oxolane]-2-one

(5'Z)-1-benzyl-5'-[(4-chlorophenyl)methylidene]-6-(dimethylamino)-4-methoxyspiro[indole-3,2'-oxolane]-2-one (PubChem CID 163964675) has the molecular formula C28H27ClN2O3 and a molecular weight of 474.99 g/mol. Its IUPAC name is (5'Z)-1-benzyl-5'-[(4-chlorophenyl)methylidene]-6-(dimethylamino)-4-methoxyspiro[indole-3,2'-oxolane]-2-one.

Molecular Properties

Compound Name(5'Z)-1-benzyl-5'-[(4-chlorophenyl)methylidene]-6-(dimethylamino)-4-methoxyspiro[indole-3,2'-oxolane]-2-one
PubChem CID163964675
Molecular FormulaC28H27ClN2O3
Molecular Weight474.99 g/mol
Exact Mass474.17
IUPAC Name(5'Z)-1-benzyl-5'-[(4-chlorophenyl)methylidene]-6-(dimethylamino)-4-methoxyspiro[indole-3,2'-oxolane]-2-one
SMILESCOc1cc(N(C)C)cc2c1C1(CC/C(=C/c3ccc(Cl)cc3)O1)C(=O)N2Cc1ccccc1
InChIInChI=1S/C28H27ClN2O3/c1-30(2)22-16-24-26(25(17-22)33-3)28(27(32)31(24)18-20-7-5-4-6-8-20)14-13-23(34-28)15-19-9-11-21(29)12-10-19/h4-12,15-17H,13-14,18H2,1-3H3/b23-15-
InChIKeySKQBELPSYNWASB-HAHDFKILSA-N
XLogP6.01
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.99
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5'Z)-1-benzyl-5'-[(4-chlorophenyl)methylidene]-6-(dimethylamino)-4-methoxyspiro[indole-3,2'-oxolane]-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5'Z)-1-benzyl-5'-[(4-chlorophenyl)methylidene]-6-(dimethylamino)-4-methoxyspiro[indole-3,2'-oxolane]-2-one?
The IUPAC name of (5'Z)-1-benzyl-5'-[(4-chlorophenyl)methylidene]-6-(dimethylamino)-4-methoxyspiro[indole-3,2'-oxolane]-2-one (CID 163964675) is (5'Z)-1-benzyl-5'-[(4-chlorophenyl)methylidene]-6-(dimethylamino)-4-methoxyspiro[indole-3,2'-oxolane]-2-one.
What is the SMILES notation for (5'Z)-1-benzyl-5'-[(4-chlorophenyl)methylidene]-6-(dimethylamino)-4-methoxyspiro[indole-3,2'-oxolane]-2-one?
The canonical SMILES for (5'Z)-1-benzyl-5'-[(4-chlorophenyl)methylidene]-6-(dimethylamino)-4-methoxyspiro[indole-3,2'-oxolane]-2-one is COc1cc(N(C)C)cc2c1C1(CC/C(=C/c3ccc(Cl)cc3)O1)C(=O)N2Cc1ccccc1.
What is the InChIKey of (5'Z)-1-benzyl-5'-[(4-chlorophenyl)methylidene]-6-(dimethylamino)-4-methoxyspiro[indole-3,2'-oxolane]-2-one?
The InChIKey is SKQBELPSYNWASB-HAHDFKILSA-N. The full InChI is InChI=1S/C28H27ClN2O3/c1-30(2)22-16-24-26(25(17-22)33-3)28(27(32)31(24)18-20-7-5-4-6-8-20)14-13-23(34-28)15-19-9-11-21(29)12-10-19/h4-12,15-17H,13-14,18H2,1-3H3/b23-15-.
What are the key properties of (5'Z)-1-benzyl-5'-[(4-chlorophenyl)methylidene]-6-(dimethylamino)-4-methoxyspiro[indole-3,2'-oxolane]-2-one?
(5'Z)-1-benzyl-5'-[(4-chlorophenyl)methylidene]-6-(dimethylamino)-4-methoxyspiro[indole-3,2'-oxolane]-2-one has a molecular weight of 474.99 g/mol, XLogP of 6.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5'Z)-1-benzyl-5'-[(4-chlorophenyl)methylidene]-6-(dimethylamino)-4-methoxyspiro[indole-3,2'-oxolane]-2-one is sourced from PubChem (CID 163964675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).