N-[4-[3-(3,4,5,6,7,8-hexahydro-2H-quinolin-1-yl)-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide

C21H25N3O3 — CID 20980141

IUPACN-[4-[3-(3,4,5,6,7,8-hexahydro-2H-quinolin-1-yl)-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N2C(=O)CC(N3CCCC4=C3CCCC4)C2=O)cc1
InChIInChI=1S/C21H25N3O3/c1-14(25)22-16-8-10-17(11-9-16)24-20(26)13-19(21(24)27)23-12-4-6-15-5-2-3-7-18(15)23/h8-11,19H,2-7,12-13H2,1H3,(H,22,25)
InChIKeyCUPXECIKXCFFIZ-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.20
Rot. Bonds3

About N-[4-[3-(3,4,5,6,7,8-hexahydro-2H-quinolin-1-yl)-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide

N-[4-[3-(3,4,5,6,7,8-hexahydro-2H-quinolin-1-yl)-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide (PubChem CID 20980141) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-[4-[3-(3,4,5,6,7,8-hexahydro-2H-quinolin-1-yl)-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-(3,4,5,6,7,8-hexahydro-2H-quinolin-1-yl)-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide
PubChem CID20980141
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC NameN-[4-[3-(3,4,5,6,7,8-hexahydro-2H-quinolin-1-yl)-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N2C(=O)CC(N3CCCC4=C3CCCC4)C2=O)cc1
InChIInChI=1S/C21H25N3O3/c1-14(25)22-16-8-10-17(11-9-16)24-20(26)13-19(21(24)27)23-12-4-6-15-5-2-3-7-18(15)23/h8-11,19H,2-7,12-13H2,1H3,(H,22,25)
InChIKeyCUPXECIKXCFFIZ-UHFFFAOYSA-N
XLogP3.20
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.20
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

N-[4-[(3S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide
CID 1166710
N-[4-[(3R)-3-(4-methyl-1,4-diazepan-1-yl)-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide
CID 822092
N-[4-[3-(4-acetamidophenyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide
CID 19630691
N-[4-[(3R)-2,5-dioxo-3-piperidin-1-ium-1-ylpyrrolidin-1-yl]phenyl]acetamide
CID 6923629
ethyl 1-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate
CID 3148451
N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 7686436
N-[4-[4-(4-methylphenyl)-2,5-dioxo-4,6,7,8-tetrahydro-3H-quinolin-1-yl]phenyl]acetamide
CID 23887284
N-[4-[(3R)-2,5-dioxo-3-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyrrolidin-1-yl]phenyl]acetamide
CID 29146918
N-[4-[(3S)-3-[2-(4-chlorophenyl)ethylamino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide
CID 1166734
N-[4-[3-[acetyl(cyclopropyl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide
CID 23743710
N-[4-[3-[(2-methylcyclohexyl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide
CID 4198260
N-[4-[(3R)-3-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide
CID 7216034

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(3,4,5,6,7,8-hexahydro-2H-quinolin-1-yl)-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide?
The IUPAC name of N-[4-[3-(3,4,5,6,7,8-hexahydro-2H-quinolin-1-yl)-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide (CID 20980141) is N-[4-[3-(3,4,5,6,7,8-hexahydro-2H-quinolin-1-yl)-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[3-(3,4,5,6,7,8-hexahydro-2H-quinolin-1-yl)-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[3-(3,4,5,6,7,8-hexahydro-2H-quinolin-1-yl)-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide is CC(=O)Nc1ccc(N2C(=O)CC(N3CCCC4=C3CCCC4)C2=O)cc1.
What is the InChIKey of N-[4-[3-(3,4,5,6,7,8-hexahydro-2H-quinolin-1-yl)-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide?
The InChIKey is CUPXECIKXCFFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-14(25)22-16-8-10-17(11-9-16)24-20(26)13-19(21(24)27)23-12-4-6-15-5-2-3-7-18(15)23/h8-11,19H,2-7,12-13H2,1H3,(H,22,25).
What are the key properties of N-[4-[3-(3,4,5,6,7,8-hexahydro-2H-quinolin-1-yl)-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide?
N-[4-[3-(3,4,5,6,7,8-hexahydro-2H-quinolin-1-yl)-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide has a molecular weight of 367.45 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(3,4,5,6,7,8-hexahydro-2H-quinolin-1-yl)-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide is sourced from PubChem (CID 20980141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).