1'-benzyl-2-methoxyspiro[7,8-dihydro-6H-quinoline-5,5'-pyrrolidine]-2'-one

C20H22N2O2 — CID 24824416

IUPAC1'-benzyl-2-methoxyspiro[7,8-dihydro-6H-quinoline-5,5'-pyrrolidine]-2'-one
SMILESCOc1ccc2c(n1)CCCC21CCC(=O)N1Cc1ccccc1
InChIInChI=1S/C20H22N2O2/c1-24-18-10-9-16-17(21-18)8-5-12-20(16)13-11-19(23)22(20)14-15-6-3-2-4-7-15/h2-4,6-7,9-10H,5,8,11-14H2,1H3
InChIKeyHEKSXTIVLVNLGK-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.44
Rot. Bonds3

About 1'-benzyl-2-methoxyspiro[7,8-dihydro-6H-quinoline-5,5'-pyrrolidine]-2'-one

1'-benzyl-2-methoxyspiro[7,8-dihydro-6H-quinoline-5,5'-pyrrolidine]-2'-one (PubChem CID 24824416) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 1'-benzyl-2-methoxyspiro[7,8-dihydro-6H-quinoline-5,5'-pyrrolidine]-2'-one.

Molecular Properties

Compound Name1'-benzyl-2-methoxyspiro[7,8-dihydro-6H-quinoline-5,5'-pyrrolidine]-2'-one
PubChem CID24824416
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name1'-benzyl-2-methoxyspiro[7,8-dihydro-6H-quinoline-5,5'-pyrrolidine]-2'-one
SMILESCOc1ccc2c(n1)CCCC21CCC(=O)N1Cc1ccccc1
InChIInChI=1S/C20H22N2O2/c1-24-18-10-9-16-17(21-18)8-5-12-20(16)13-11-19(23)22(20)14-15-6-3-2-4-7-15/h2-4,6-7,9-10H,5,8,11-14H2,1H3
InChIKeyHEKSXTIVLVNLGK-UHFFFAOYSA-N
XLogP3.44
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-8-(2,6-dimethoxypyridine-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 42472580
1-benzyl-8-[(4-methoxyphenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one
CID 97372701
1-benzyl-2-methyl-5-oxopyrrolidine-2-carbonitrile
CID 117066612
(5S)-1-benzyl-9-methyl-1,9-diazaspiro[4.6]undecan-2-one
CID 97393950
1-benzyl-1-azaspiro[4.4]nonan-9-one
CID 138106111
9-(4,6-dimethoxypyrimidin-2-yl)-1-[(4-methylphenyl)methyl]-1,9-diazaspiro[4.6]undecan-2-one
CID 131681182
1-benzyl-5-hydroxy-5-propylpyrrolidin-2-one
CID 135039839
2-methoxy-5,6,7,8-tetrahydroquinoline
CID 18180283
(5S,9S)-1-benzyl-9-(2-methoxyphenyl)-1,7-diazaspiro[4.4]nonane-2,6-dione
CID 12968985
1-benzyl-2-oxo-N-propan-2-yl-1,8-diazaspiro[4.5]decane-8-carboxamide
CID 97493909
1-benzyl-5-(4-chlorobenzoyl)-5-methylpyrrolidin-2-one
CID 4874097
5-(1H-indol-3-yl)-1-[(4-methoxyphenyl)methyl]-5-methylpyrrolidin-2-one
CID 135014319

Frequently Asked Questions

What is the IUPAC name of 1'-benzyl-2-methoxyspiro[7,8-dihydro-6H-quinoline-5,5'-pyrrolidine]-2'-one?
The IUPAC name of 1'-benzyl-2-methoxyspiro[7,8-dihydro-6H-quinoline-5,5'-pyrrolidine]-2'-one (CID 24824416) is 1'-benzyl-2-methoxyspiro[7,8-dihydro-6H-quinoline-5,5'-pyrrolidine]-2'-one.
What is the SMILES notation for 1'-benzyl-2-methoxyspiro[7,8-dihydro-6H-quinoline-5,5'-pyrrolidine]-2'-one?
The canonical SMILES for 1'-benzyl-2-methoxyspiro[7,8-dihydro-6H-quinoline-5,5'-pyrrolidine]-2'-one is COc1ccc2c(n1)CCCC21CCC(=O)N1Cc1ccccc1.
What is the InChIKey of 1'-benzyl-2-methoxyspiro[7,8-dihydro-6H-quinoline-5,5'-pyrrolidine]-2'-one?
The InChIKey is HEKSXTIVLVNLGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-24-18-10-9-16-17(21-18)8-5-12-20(16)13-11-19(23)22(20)14-15-6-3-2-4-7-15/h2-4,6-7,9-10H,5,8,11-14H2,1H3.
What are the key properties of 1'-benzyl-2-methoxyspiro[7,8-dihydro-6H-quinoline-5,5'-pyrrolidine]-2'-one?
1'-benzyl-2-methoxyspiro[7,8-dihydro-6H-quinoline-5,5'-pyrrolidine]-2'-one has a molecular weight of 322.41 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-benzyl-2-methoxyspiro[7,8-dihydro-6H-quinoline-5,5'-pyrrolidine]-2'-one is sourced from PubChem (CID 24824416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).