2-[(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-4-methyl-1-oxopentan-2-yl]isoindole-1,3-dione

C23H24N2O3 — CID 2394867

IUPAC2-[(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-4-methyl-1-oxopentan-2-yl]isoindole-1,3-dione
SMILESCC(C)C[C@@H](C(=O)N1CCCc2ccccc21)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C23H24N2O3/c1-15(2)14-20(25-21(26)17-10-4-5-11-18(17)22(25)27)23(28)24-13-7-9-16-8-3-6-12-19(16)24/h3-6,8,10-12,15,20H,7,9,13-14H2,1-2H3/t20-/m0/s1
InChIKeyTXNPCVBYRWYBCV-FQEVSTJZSA-N
MW376.46 g/mol
LogP3.68
Rot. Bonds4

About 2-[(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-4-methyl-1-oxopentan-2-yl]isoindole-1,3-dione

2-[(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-4-methyl-1-oxopentan-2-yl]isoindole-1,3-dione (PubChem CID 2394867) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-[(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-4-methyl-1-oxopentan-2-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-4-methyl-1-oxopentan-2-yl]isoindole-1,3-dione
PubChem CID2394867
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name2-[(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-4-methyl-1-oxopentan-2-yl]isoindole-1,3-dione
SMILESCC(C)C[C@@H](C(=O)N1CCCc2ccccc21)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C23H24N2O3/c1-15(2)14-20(25-21(26)17-10-4-5-11-18(17)22(25)27)23(28)24-13-7-9-16-8-3-6-12-19(16)24/h3-6,8,10-12,15,20H,7,9,13-14H2,1-2H3/t20-/m0/s1
InChIKeyTXNPCVBYRWYBCV-FQEVSTJZSA-N
XLogP3.68
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(3,4-dihydro-2H-quinolin-1-yl)-4-methyl-1-oxopentan-2-yl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 42992673
N-[1-[2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoyl]-3,4-dihydro-2H-quinolin-5-yl]acetamide
CID 47060032
2-[(2S)-4-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]isoindole-1,3-dione
CID 740431
2-[(2S)-1-(2,3-dihydroindol-1-yl)-4-methylsulfanyl-1-oxobutan-2-yl]isoindole-1,3-dione
CID 2678445
1-[(2R)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoyl]-N,N-diethyl-2,3-dihydroindole-5-sulfonamide
CID 26765345
2-[4-methyl-1-(2-methyl-2,3-dihydroindol-1-yl)-1-oxopentan-2-yl]isoindole-1,3-dione
CID 110838972
2-chloro-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 3271608
2-[1-(3,4-dihydroxypyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]isoindole-1,3-dione
CID 72591163
[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] (2S)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 8926596
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(5-methyl-1,3-dioxoisoindol-2-yl)propanoate
CID 55375278
[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] (2R)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoate
CID 22748057
(2S)-2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pentanamide
CID 2559883

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-4-methyl-1-oxopentan-2-yl]isoindole-1,3-dione?
The IUPAC name of 2-[(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-4-methyl-1-oxopentan-2-yl]isoindole-1,3-dione (CID 2394867) is 2-[(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-4-methyl-1-oxopentan-2-yl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-4-methyl-1-oxopentan-2-yl]isoindole-1,3-dione?
The canonical SMILES for 2-[(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-4-methyl-1-oxopentan-2-yl]isoindole-1,3-dione is CC(C)C[C@@H](C(=O)N1CCCc2ccccc21)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-4-methyl-1-oxopentan-2-yl]isoindole-1,3-dione?
The InChIKey is TXNPCVBYRWYBCV-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-15(2)14-20(25-21(26)17-10-4-5-11-18(17)22(25)27)23(28)24-13-7-9-16-8-3-6-12-19(16)24/h3-6,8,10-12,15,20H,7,9,13-14H2,1-2H3/t20-/m0/s1.
What are the key properties of 2-[(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-4-methyl-1-oxopentan-2-yl]isoindole-1,3-dione?
2-[(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-4-methyl-1-oxopentan-2-yl]isoindole-1,3-dione has a molecular weight of 376.46 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-4-methyl-1-oxopentan-2-yl]isoindole-1,3-dione is sourced from PubChem (CID 2394867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).