N-[1-[2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoyl]-3,4-dihydro-2H-quinolin-5-yl]acetamide

C25H27N3O4 — CID 47060032

IUPACN-[1-[2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoyl]-3,4-dihydro-2H-quinolin-5-yl]acetamide
SMILESCC(=O)Nc1cccc2c1CCCN2C(=O)C(CC(C)C)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C25H27N3O4/c1-15(2)14-22(28-23(30)17-8-4-5-9-18(17)24(28)31)25(32)27-13-7-10-19-20(26-16(3)29)11-6-12-21(19)27/h4-6,8-9,11-12,15,22H,7,10,13-14H2,1-3H3,(H,26,29)
InChIKeyADARYENVURAAQK-UHFFFAOYSA-N
MW433.51 g/mol
LogP3.64
Rot. Bonds5

About N-[1-[2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoyl]-3,4-dihydro-2H-quinolin-5-yl]acetamide

N-[1-[2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoyl]-3,4-dihydro-2H-quinolin-5-yl]acetamide (PubChem CID 47060032) has the molecular formula C25H27N3O4 and a molecular weight of 433.51 g/mol. Its IUPAC name is N-[1-[2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoyl]-3,4-dihydro-2H-quinolin-5-yl]acetamide.

Molecular Properties

Compound NameN-[1-[2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoyl]-3,4-dihydro-2H-quinolin-5-yl]acetamide
PubChem CID47060032
Molecular FormulaC25H27N3O4
Molecular Weight433.51 g/mol
Exact Mass433.20
IUPAC NameN-[1-[2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoyl]-3,4-dihydro-2H-quinolin-5-yl]acetamide
SMILESCC(=O)Nc1cccc2c1CCCN2C(=O)C(CC(C)C)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C25H27N3O4/c1-15(2)14-22(28-23(30)17-8-4-5-9-18(17)24(28)31)25(32)27-13-7-10-19-20(26-16(3)29)11-6-12-21(19)27/h4-6,8-9,11-12,15,22H,7,10,13-14H2,1-3H3,(H,26,29)
InChIKeyADARYENVURAAQK-UHFFFAOYSA-N
XLogP3.64
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-4-methyl-1-oxopentan-2-yl]isoindole-1,3-dione
CID 2394867
2-[(2S)-4-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]isoindole-1,3-dione
CID 740431
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
(2S)-N-(2-bromophenyl)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide
CID 2420991
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-(2-ethylphenyl)-4-methylpentanamide
CID 7067644
2-(5-acetamido-3,4-dihydro-2H-quinolin-1-yl)propanoic acid
CID 119955425
2-[1-(3,4-dihydroxypyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]isoindole-1,3-dione
CID 72591163
[(2R)-1-anilino-1-oxopropan-2-yl] (2R)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoate
CID 9408501
1-[(2R)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoyl]-N,N-diethyl-2,3-dihydroindole-5-sulfonamide
CID 26765345
[2-(2-acetylhydrazinyl)-2-oxoethyl] (2R)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoate
CID 9408413
2-[4-methyl-1-(2-methyl-2,3-dihydroindol-1-yl)-1-oxopentan-2-yl]isoindole-1,3-dione
CID 110838972
2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pentanamide
CID 110347576

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoyl]-3,4-dihydro-2H-quinolin-5-yl]acetamide?
The IUPAC name of N-[1-[2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoyl]-3,4-dihydro-2H-quinolin-5-yl]acetamide (CID 47060032) is N-[1-[2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoyl]-3,4-dihydro-2H-quinolin-5-yl]acetamide.
What is the SMILES notation for N-[1-[2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoyl]-3,4-dihydro-2H-quinolin-5-yl]acetamide?
The canonical SMILES for N-[1-[2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoyl]-3,4-dihydro-2H-quinolin-5-yl]acetamide is CC(=O)Nc1cccc2c1CCCN2C(=O)C(CC(C)C)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of N-[1-[2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoyl]-3,4-dihydro-2H-quinolin-5-yl]acetamide?
The InChIKey is ADARYENVURAAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4/c1-15(2)14-22(28-23(30)17-8-4-5-9-18(17)24(28)31)25(32)27-13-7-10-19-20(26-16(3)29)11-6-12-21(19)27/h4-6,8-9,11-12,15,22H,7,10,13-14H2,1-3H3,(H,26,29).
What are the key properties of N-[1-[2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoyl]-3,4-dihydro-2H-quinolin-5-yl]acetamide?
N-[1-[2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoyl]-3,4-dihydro-2H-quinolin-5-yl]acetamide has a molecular weight of 433.51 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoyl]-3,4-dihydro-2H-quinolin-5-yl]acetamide is sourced from PubChem (CID 47060032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).