1-[3-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]pyrrolidine-2,5-dione

C17H20N2O3 — CID 51289186

IUPAC1-[3-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]pyrrolidine-2,5-dione
SMILESCc1cccc2c1N(C(=O)CCN1C(=O)CCC1=O)CCC2
InChIInChI=1S/C17H20N2O3/c1-12-4-2-5-13-6-3-10-19(17(12)13)16(22)9-11-18-14(20)7-8-15(18)21/h2,4-5H,3,6-11H2,1H3
InChIKeyCXKHMZQIIQCDEH-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.81
Rot. Bonds3

About 1-[3-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]pyrrolidine-2,5-dione

1-[3-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]pyrrolidine-2,5-dione (PubChem CID 51289186) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-[3-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[3-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]pyrrolidine-2,5-dione
PubChem CID51289186
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name1-[3-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]pyrrolidine-2,5-dione
SMILESCc1cccc2c1N(C(=O)CCN1C(=O)CCC1=O)CCC2
InChIInChI=1S/C17H20N2O3/c1-12-4-2-5-13-6-3-10-19(17(12)13)16(22)9-11-18-14(20)7-8-15(18)21/h2,4-5H,3,6-11H2,1H3
InChIKeyCXKHMZQIIQCDEH-UHFFFAOYSA-N
XLogP1.81
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 1-[3-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]pyrrolidine-2,5-dione with MolForge

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Related Compounds

1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 60704653
1-ethyl-3-[3-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]benzimidazol-2-one
CID 55480391
2-methoxy-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 60721467
1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-(5-methylthiophen-2-yl)butane-1,4-dione
CID 55480720
1-(7-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 23566601
2-[(4,5-dimethyl-2-pyridinyl)sulfanyl]-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 24900710
2-[(3-hydroxy-2-pyridinyl)sulfanyl]-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 143644946
7-[2-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]chromen-2-one
CID 51289110
6-[2-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid
CID 24900640
2-(1,2-dihydropyridin-2-ylsulfanyl)-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;ethane
CID 143644944
(4-amino-1-ethylpyrrol-2-yl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 61113186
1-[3-(1-methyl-3,4-dihydro-2H-[1,4]diazepino[2,3-b]quinoxalin-5-yl)-3-oxopropyl]pyrrolidine-2,5-dione
CID 18089869

Frequently Asked Questions

What is the IUPAC name of 1-[3-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[3-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]pyrrolidine-2,5-dione (CID 51289186) is 1-[3-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[3-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[3-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]pyrrolidine-2,5-dione is Cc1cccc2c1N(C(=O)CCN1C(=O)CCC1=O)CCC2.
What is the InChIKey of 1-[3-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]pyrrolidine-2,5-dione?
The InChIKey is CXKHMZQIIQCDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-12-4-2-5-13-6-3-10-19(17(12)13)16(22)9-11-18-14(20)7-8-15(18)21/h2,4-5H,3,6-11H2,1H3.
What are the key properties of 1-[3-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]pyrrolidine-2,5-dione?
1-[3-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]pyrrolidine-2,5-dione has a molecular weight of 300.36 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 51289186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).