1,2',2'-trimethylspiro[4H-quinoline-3,4'-cyclohexane]-1',2-dione

C17H21NO2 — CID 175913849

IUPAC1,2',2'-trimethylspiro[4H-quinoline-3,4'-cyclohexane]-1',2-dione
SMILESCN1C(=O)C2(CCC(=O)C(C)(C)C2)Cc2ccccc21
InChIInChI=1S/C17H21NO2/c1-16(2)11-17(9-8-14(16)19)10-12-6-4-5-7-13(12)18(3)15(17)20/h4-7H,8-11H2,1-3H3
InChIKeyOGAPBGIYJVVBHY-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.97
Rot. Bonds

About 1,2',2'-trimethylspiro[4H-quinoline-3,4'-cyclohexane]-1',2-dione

1,2',2'-trimethylspiro[4H-quinoline-3,4'-cyclohexane]-1',2-dione (PubChem CID 175913849) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 1,2',2'-trimethylspiro[4H-quinoline-3,4'-cyclohexane]-1',2-dione.

Molecular Properties

Compound Name1,2',2'-trimethylspiro[4H-quinoline-3,4'-cyclohexane]-1',2-dione
PubChem CID175913849
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name1,2',2'-trimethylspiro[4H-quinoline-3,4'-cyclohexane]-1',2-dione
SMILESCN1C(=O)C2(CCC(=O)C(C)(C)C2)Cc2ccccc21
InChIInChI=1S/C17H21NO2/c1-16(2)11-17(9-8-14(16)19)10-12-6-4-5-7-13(12)18(3)15(17)20/h4-7H,8-11H2,1-3H3
InChIKeyOGAPBGIYJVVBHY-UHFFFAOYSA-N
XLogP2.97
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3,3-trimethyl-4H-quinolin-2-one
CID 15056385
(3R)-1-acetyl-2',2'-dimethylspiro[2H-indole-3,4'-cyclohexane]-1'-one
CID 175904123
1'-methylspiro[2H-1-benzofuran-3,3'-4H-quinoline]-2'-one
CID 102292524
5-methyl-11,12-dihydro-10H-benzo[b][1]benzazocine
CID 58892341
1',4'-dimethylspiro[1,2-dihydroindene-3,3'-indole]-2'-one
CID 102369514
ethane;1-methyl-4H-3,1-benzothiazin-2-one
CID 90782126
1,4,4-trimethyl-3H-quinolin-2-one
CID 14010251
1'-methylspiro[cyclopropane-1,3'-indole]-2'-one
CID 14317864
4,4-difluoro-3-iodo-1-methyl-3,5-dihydro-1-benzazepin-2-one
CID 130314014
1,3,3,4-tetramethylquinoxalin-2-one
CID 121015533
5-methyl-11,12-dihydrobenzo[c][1]benzazocin-6-one
CID 13447635
1'-methylspiro[cycloheptane-2,3'-indole]-1,2'-dione
CID 71513681

Frequently Asked Questions

What is the IUPAC name of 1,2',2'-trimethylspiro[4H-quinoline-3,4'-cyclohexane]-1',2-dione?
The IUPAC name of 1,2',2'-trimethylspiro[4H-quinoline-3,4'-cyclohexane]-1',2-dione (CID 175913849) is 1,2',2'-trimethylspiro[4H-quinoline-3,4'-cyclohexane]-1',2-dione.
What is the SMILES notation for 1,2',2'-trimethylspiro[4H-quinoline-3,4'-cyclohexane]-1',2-dione?
The canonical SMILES for 1,2',2'-trimethylspiro[4H-quinoline-3,4'-cyclohexane]-1',2-dione is CN1C(=O)C2(CCC(=O)C(C)(C)C2)Cc2ccccc21.
What is the InChIKey of 1,2',2'-trimethylspiro[4H-quinoline-3,4'-cyclohexane]-1',2-dione?
The InChIKey is OGAPBGIYJVVBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-16(2)11-17(9-8-14(16)19)10-12-6-4-5-7-13(12)18(3)15(17)20/h4-7H,8-11H2,1-3H3.
What are the key properties of 1,2',2'-trimethylspiro[4H-quinoline-3,4'-cyclohexane]-1',2-dione?
1,2',2'-trimethylspiro[4H-quinoline-3,4'-cyclohexane]-1',2-dione has a molecular weight of 271.36 g/mol, XLogP of 2.97, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2',2'-trimethylspiro[4H-quinoline-3,4'-cyclohexane]-1',2-dione is sourced from PubChem (CID 175913849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).