1-[1'-[(4-chlorophenyl)methyl]spiro[2,4-dihydroquinoline-3,3'-pyrrolidine]-1-yl]ethanone

C21H23ClN2O — CID 118740515

IUPAC1-[1'-[(4-chlorophenyl)methyl]spiro[2,4-dihydroquinoline-3,3'-pyrrolidine]-1-yl]ethanone
SMILESCC(=O)N1CC2(CCN(Cc3ccc(Cl)cc3)C2)Cc2ccccc21
InChIInChI=1S/C21H23ClN2O/c1-16(25)24-15-21(12-18-4-2-3-5-20(18)24)10-11-23(14-21)13-17-6-8-19(22)9-7-17/h2-9H,10-15H2,1H3
InChIKeyPSXCBGMLQDGPKY-UHFFFAOYSA-N
MW354.88 g/mol
LogP4.14
Rot. Bonds2

About 1-[1'-[(4-chlorophenyl)methyl]spiro[2,4-dihydroquinoline-3,3'-pyrrolidine]-1-yl]ethanone

1-[1'-[(4-chlorophenyl)methyl]spiro[2,4-dihydroquinoline-3,3'-pyrrolidine]-1-yl]ethanone (PubChem CID 118740515) has the molecular formula C21H23ClN2O and a molecular weight of 354.88 g/mol. Its IUPAC name is 1-[1'-[(4-chlorophenyl)methyl]spiro[2,4-dihydroquinoline-3,3'-pyrrolidine]-1-yl]ethanone.

Molecular Properties

Compound Name1-[1'-[(4-chlorophenyl)methyl]spiro[2,4-dihydroquinoline-3,3'-pyrrolidine]-1-yl]ethanone
PubChem CID118740515
Molecular FormulaC21H23ClN2O
Molecular Weight354.88 g/mol
Exact Mass354.15
IUPAC Name1-[1'-[(4-chlorophenyl)methyl]spiro[2,4-dihydroquinoline-3,3'-pyrrolidine]-1-yl]ethanone
SMILESCC(=O)N1CC2(CCN(Cc3ccc(Cl)cc3)C2)Cc2ccccc21
InChIInChI=1S/C21H23ClN2O/c1-16(25)24-15-21(12-18-4-2-3-5-20(18)24)10-11-23(14-21)13-17-6-8-19(22)9-7-17/h2-9H,10-15H2,1H3
InChIKeyPSXCBGMLQDGPKY-UHFFFAOYSA-N
XLogP4.14
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.88
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[1'-[(4-chlorophenyl)methyl]spiro[2,4-dihydroquinoline-3,3'-pyrrolidine]-1-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[1'-[(4-chlorophenyl)methyl]spiro[2,4-dihydroquinoline-3,3'-pyrrolidine]-1-yl]ethanone?
The IUPAC name of 1-[1'-[(4-chlorophenyl)methyl]spiro[2,4-dihydroquinoline-3,3'-pyrrolidine]-1-yl]ethanone (CID 118740515) is 1-[1'-[(4-chlorophenyl)methyl]spiro[2,4-dihydroquinoline-3,3'-pyrrolidine]-1-yl]ethanone.
What is the SMILES notation for 1-[1'-[(4-chlorophenyl)methyl]spiro[2,4-dihydroquinoline-3,3'-pyrrolidine]-1-yl]ethanone?
The canonical SMILES for 1-[1'-[(4-chlorophenyl)methyl]spiro[2,4-dihydroquinoline-3,3'-pyrrolidine]-1-yl]ethanone is CC(=O)N1CC2(CCN(Cc3ccc(Cl)cc3)C2)Cc2ccccc21.
What is the InChIKey of 1-[1'-[(4-chlorophenyl)methyl]spiro[2,4-dihydroquinoline-3,3'-pyrrolidine]-1-yl]ethanone?
The InChIKey is PSXCBGMLQDGPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O/c1-16(25)24-15-21(12-18-4-2-3-5-20(18)24)10-11-23(14-21)13-17-6-8-19(22)9-7-17/h2-9H,10-15H2,1H3.
What are the key properties of 1-[1'-[(4-chlorophenyl)methyl]spiro[2,4-dihydroquinoline-3,3'-pyrrolidine]-1-yl]ethanone?
1-[1'-[(4-chlorophenyl)methyl]spiro[2,4-dihydroquinoline-3,3'-pyrrolidine]-1-yl]ethanone has a molecular weight of 354.88 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1'-[(4-chlorophenyl)methyl]spiro[2,4-dihydroquinoline-3,3'-pyrrolidine]-1-yl]ethanone is sourced from PubChem (CID 118740515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).