2'-(4-chlorophenyl)spiro[cyclopentane-1,4'-isoquinoline]-1',3'-dione

C19H16ClNO2 — CID 44568084

IUPAC2'-(4-chlorophenyl)spiro[cyclopentane-1,4'-isoquinoline]-1',3'-dione
SMILESO=C1c2ccccc2C2(CCCC2)C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C19H16ClNO2/c20-13-7-9-14(10-8-13)21-17(22)15-5-1-2-6-16(15)19(18(21)23)11-3-4-12-19/h1-2,5-10H,3-4,11-12H2
InChIKeySULQASZPSYYHOD-UHFFFAOYSA-N
MW325.80 g/mol
LogP4.34
Rot. Bonds1

About 2'-(4-chlorophenyl)spiro[cyclopentane-1,4'-isoquinoline]-1',3'-dione

2'-(4-chlorophenyl)spiro[cyclopentane-1,4'-isoquinoline]-1',3'-dione (PubChem CID 44568084) has the molecular formula C19H16ClNO2 and a molecular weight of 325.80 g/mol. Its IUPAC name is 2'-(4-chlorophenyl)spiro[cyclopentane-1,4'-isoquinoline]-1',3'-dione.

Molecular Properties

Compound Name2'-(4-chlorophenyl)spiro[cyclopentane-1,4'-isoquinoline]-1',3'-dione
PubChem CID44568084
Molecular FormulaC19H16ClNO2
Molecular Weight325.80 g/mol
Exact Mass325.09
IUPAC Name2'-(4-chlorophenyl)spiro[cyclopentane-1,4'-isoquinoline]-1',3'-dione
SMILESO=C1c2ccccc2C2(CCCC2)C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C19H16ClNO2/c20-13-7-9-14(10-8-13)21-17(22)15-5-1-2-6-16(15)19(18(21)23)11-3-4-12-19/h1-2,5-10H,3-4,11-12H2
InChIKeySULQASZPSYYHOD-UHFFFAOYSA-N
XLogP4.34
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2'-(4-chlorophenyl)spiro[cyclopentane-1,4'-isoquinoline]-1',3'-dione 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 2'-(4-chlorophenyl)spiro[cyclopentane-1,4'-isoquinoline]-1',3'-dione?
The IUPAC name of 2'-(4-chlorophenyl)spiro[cyclopentane-1,4'-isoquinoline]-1',3'-dione (CID 44568084) is 2'-(4-chlorophenyl)spiro[cyclopentane-1,4'-isoquinoline]-1',3'-dione.
What is the SMILES notation for 2'-(4-chlorophenyl)spiro[cyclopentane-1,4'-isoquinoline]-1',3'-dione?
The canonical SMILES for 2'-(4-chlorophenyl)spiro[cyclopentane-1,4'-isoquinoline]-1',3'-dione is O=C1c2ccccc2C2(CCCC2)C(=O)N1c1ccc(Cl)cc1.
What is the InChIKey of 2'-(4-chlorophenyl)spiro[cyclopentane-1,4'-isoquinoline]-1',3'-dione?
The InChIKey is SULQASZPSYYHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO2/c20-13-7-9-14(10-8-13)21-17(22)15-5-1-2-6-16(15)19(18(21)23)11-3-4-12-19/h1-2,5-10H,3-4,11-12H2.
What are the key properties of 2'-(4-chlorophenyl)spiro[cyclopentane-1,4'-isoquinoline]-1',3'-dione?
2'-(4-chlorophenyl)spiro[cyclopentane-1,4'-isoquinoline]-1',3'-dione has a molecular weight of 325.80 g/mol, XLogP of 4.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-(4-chlorophenyl)spiro[cyclopentane-1,4'-isoquinoline]-1',3'-dione is sourced from PubChem (CID 44568084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).