1'-methylspiro[2H-1-benzofuran-3,3'-4H-quinoline]-2'-one

C17H15NO2 — CID 102292524

IUPAC1'-methylspiro[2H-1-benzofuran-3,3'-4H-quinoline]-2'-one
SMILESCN1C(=O)C2(COc3ccccc32)Cc2ccccc21
InChIInChI=1S/C17H15NO2/c1-18-14-8-4-2-6-12(14)10-17(16(18)19)11-20-15-9-5-3-7-13(15)17/h2-9H,10-11H2,1H3
InChIKeyOKMCOWMGHXHHCW-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.54
Rot. Bonds

About 1'-methylspiro[2H-1-benzofuran-3,3'-4H-quinoline]-2'-one

1'-methylspiro[2H-1-benzofuran-3,3'-4H-quinoline]-2'-one (PubChem CID 102292524) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 1'-methylspiro[2H-1-benzofuran-3,3'-4H-quinoline]-2'-one.

Molecular Properties

Compound Name1'-methylspiro[2H-1-benzofuran-3,3'-4H-quinoline]-2'-one
PubChem CID102292524
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name1'-methylspiro[2H-1-benzofuran-3,3'-4H-quinoline]-2'-one
SMILESCN1C(=O)C2(COc3ccccc32)Cc2ccccc21
InChIInChI=1S/C17H15NO2/c1-18-14-8-4-2-6-12(14)10-17(16(18)19)11-20-15-9-5-3-7-13(15)17/h2-9H,10-11H2,1H3
InChIKeyOKMCOWMGHXHHCW-UHFFFAOYSA-N
XLogP2.54
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3,3-trimethyl-4H-quinolin-2-one
CID 15056385
(3S)-5-acetyl-1',6-dimethylspiro[2,4-dihydropyran-3,3'-indole]-2'-one
CID 102110139
(3S)-1'-methylspiro[4,6,7,8-tetrahydro-2H-chromene-3,3'-indole]-2',5-dione
CID 102110136
1'-methylspiro[cyclopropane-1,3'-indole]-2'-one
CID 14317864
1,3'-dimethylspiro[indole-3,5'-oxane]-2,2'-dione
CID 132918334
(4R)-1,1'-dimethylspiro[3H-quinoline-4,3'-pyrrolidine]-2,2',5'-trione
CID 162402033
1'-ethylspiro[2H-1-benzofuran-3,3'-indole]-2'-one
CID 59352101
CID 164582213
CID 164582213
CID 59909654
CID 59909654
3',3'-dimethyl-2',6'-dioxospiro[2H-1-benzofuran-3,5'-cyclohexane]-1'-carbonitrile
CID 175913862
1',1',3',3'-tetramethylspiro[2H-1-benzofuran-3,2'-cyclobutane]
CID 58564359
1'-methylspiro[2H-1-benzofuran-3,4'-imidazolidine]-2'-one
CID 175868133

Frequently Asked Questions

What is the IUPAC name of 1'-methylspiro[2H-1-benzofuran-3,3'-4H-quinoline]-2'-one?
The IUPAC name of 1'-methylspiro[2H-1-benzofuran-3,3'-4H-quinoline]-2'-one (CID 102292524) is 1'-methylspiro[2H-1-benzofuran-3,3'-4H-quinoline]-2'-one.
What is the SMILES notation for 1'-methylspiro[2H-1-benzofuran-3,3'-4H-quinoline]-2'-one?
The canonical SMILES for 1'-methylspiro[2H-1-benzofuran-3,3'-4H-quinoline]-2'-one is CN1C(=O)C2(COc3ccccc32)Cc2ccccc21.
What is the InChIKey of 1'-methylspiro[2H-1-benzofuran-3,3'-4H-quinoline]-2'-one?
The InChIKey is OKMCOWMGHXHHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c1-18-14-8-4-2-6-12(14)10-17(16(18)19)11-20-15-9-5-3-7-13(15)17/h2-9H,10-11H2,1H3.
What are the key properties of 1'-methylspiro[2H-1-benzofuran-3,3'-4H-quinoline]-2'-one?
1'-methylspiro[2H-1-benzofuran-3,3'-4H-quinoline]-2'-one has a molecular weight of 265.31 g/mol, XLogP of 2.54, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-methylspiro[2H-1-benzofuran-3,3'-4H-quinoline]-2'-one is sourced from PubChem (CID 102292524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).