1'-[[4-(dimethylamino)phenyl]methyl]spiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-2-one

C21H25N3O — CID 134795547

IUPAC1'-[[4-(dimethylamino)phenyl]methyl]spiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-2-one
SMILESCN(C)c1ccc(CN2CCC3(Cc4ccccc4NC3=O)C2)cc1
InChIInChI=1S/C21H25N3O/c1-23(2)18-9-7-16(8-10-18)14-24-12-11-21(15-24)13-17-5-3-4-6-19(17)22-20(21)25/h3-10H,11-15H2,1-2H3,(H,22,25)
InChIKeyHBJVMQKYJPOUND-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.14
Rot. Bonds3

About 1'-[[4-(dimethylamino)phenyl]methyl]spiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-2-one

1'-[[4-(dimethylamino)phenyl]methyl]spiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-2-one (PubChem CID 134795547) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is 1'-[[4-(dimethylamino)phenyl]methyl]spiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name1'-[[4-(dimethylamino)phenyl]methyl]spiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-2-one
PubChem CID134795547
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC Name1'-[[4-(dimethylamino)phenyl]methyl]spiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-2-one
SMILESCN(C)c1ccc(CN2CCC3(Cc4ccccc4NC3=O)C2)cc1
InChIInChI=1S/C21H25N3O/c1-23(2)18-9-7-16(8-10-18)14-24-12-11-21(15-24)13-17-5-3-4-6-19(17)22-20(21)25/h3-10H,11-15H2,1-2H3,(H,22,25)
InChIKeyHBJVMQKYJPOUND-UHFFFAOYSA-N
XLogP3.14
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1'-[[4-(dimethylamino)phenyl]methyl]spiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-2-one?
The IUPAC name of 1'-[[4-(dimethylamino)phenyl]methyl]spiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-2-one (CID 134795547) is 1'-[[4-(dimethylamino)phenyl]methyl]spiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for 1'-[[4-(dimethylamino)phenyl]methyl]spiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-2-one?
The canonical SMILES for 1'-[[4-(dimethylamino)phenyl]methyl]spiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-2-one is CN(C)c1ccc(CN2CCC3(Cc4ccccc4NC3=O)C2)cc1.
What is the InChIKey of 1'-[[4-(dimethylamino)phenyl]methyl]spiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-2-one?
The InChIKey is HBJVMQKYJPOUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c1-23(2)18-9-7-16(8-10-18)14-24-12-11-21(15-24)13-17-5-3-4-6-19(17)22-20(21)25/h3-10H,11-15H2,1-2H3,(H,22,25).
What are the key properties of 1'-[[4-(dimethylamino)phenyl]methyl]spiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-2-one?
1'-[[4-(dimethylamino)phenyl]methyl]spiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-2-one has a molecular weight of 335.45 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[[4-(dimethylamino)phenyl]methyl]spiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 134795547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).