1-ethyl-4,5-dioxo-N-(3-quinolin-3-ylpropyl)pyrrolidine-3-carboxamide

C19H21N3O3 — CID 123869454

IUPAC1-ethyl-4,5-dioxo-N-(3-quinolin-3-ylpropyl)pyrrolidine-3-carboxamide
SMILESCCN1CC(C(=O)NCCCc2cnc3ccccc3c2)C(=O)C1=O
InChIInChI=1S/C19H21N3O3/c1-2-22-12-15(17(23)19(22)25)18(24)20-9-5-6-13-10-14-7-3-4-8-16(14)21-11-13/h3-4,7-8,10-11,15H,2,5-6,9,12H2,1H3,(H,20,24)
InChIKeyJRWSCRZOCBKKDK-UHFFFAOYSA-N
MW339.39 g/mol
LogP1.33
Rot. Bonds6

About 1-ethyl-4,5-dioxo-N-(3-quinolin-3-ylpropyl)pyrrolidine-3-carboxamide

1-ethyl-4,5-dioxo-N-(3-quinolin-3-ylpropyl)pyrrolidine-3-carboxamide (PubChem CID 123869454) has the molecular formula C19H21N3O3 and a molecular weight of 339.39 g/mol. Its IUPAC name is 1-ethyl-4,5-dioxo-N-(3-quinolin-3-ylpropyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-4,5-dioxo-N-(3-quinolin-3-ylpropyl)pyrrolidine-3-carboxamide
PubChem CID123869454
Molecular FormulaC19H21N3O3
Molecular Weight339.39 g/mol
Exact Mass339.16
IUPAC Name1-ethyl-4,5-dioxo-N-(3-quinolin-3-ylpropyl)pyrrolidine-3-carboxamide
SMILESCCN1CC(C(=O)NCCCc2cnc3ccccc3c2)C(=O)C1=O
InChIInChI=1S/C19H21N3O3/c1-2-22-12-15(17(23)19(22)25)18(24)20-9-5-6-13-10-14-7-3-4-8-16(14)21-11-13/h3-4,7-8,10-11,15H,2,5-6,9,12H2,1H3,(H,20,24)
InChIKeyJRWSCRZOCBKKDK-UHFFFAOYSA-N
XLogP1.33
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[3-(3,4-dichlorophenyl)propyl]-1-(2-methylbutyl)-4,5-dioxopyrrolidine-3-carboxamide
CID 123893060
N-[3-(3,4-dichlorophenyl)propyl]-1-[3-(N-methylanilino)propyl]-4,5-dioxopyrrolidine-3-carboxamide
CID 123837768
N-[3-(3,4-dichlorophenyl)propyl]-1-[2-(4-methoxyphenyl)ethyl]-4,5-dioxopyrrolidine-3-carboxamide
CID 123320002
3-[4-[3-(3,4-dichlorophenyl)propylcarbamoyl]-2,3-dioxopyrrolidin-1-yl]propanoic acid
CID 123627439
N-[3-(3,4-dichlorophenyl)propyl]-4,5-dioxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 71544118
2-methyl-N-(3-quinolin-3-ylpropyl)propan-2-amine
CID 64506111
methyl 5-oxo-1-(2-quinolin-3-ylethyl)pyrrolidine-3-carboxylate
CID 168694192
3-(3-ethoxypropyl)quinoline
CID 91801315
4-acetamido-N-butyl-N-(quinolin-3-ylmethyl)butanamide
CID 42797092
N-[3-(3,4-dichlorophenyl)propyl]-1-ethyl-5-oxo-4-(2-propan-2-yloxyethylimino)pyrrolidine-3-carboxamide
CID 123571216
4-acetamido-N-octyl-N-(quinolin-3-ylmethyl)butanamide
CID 42797094
2-quinolin-3-ylethanol
CID 53403774

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4,5-dioxo-N-(3-quinolin-3-ylpropyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-ethyl-4,5-dioxo-N-(3-quinolin-3-ylpropyl)pyrrolidine-3-carboxamide (CID 123869454) is 1-ethyl-4,5-dioxo-N-(3-quinolin-3-ylpropyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-ethyl-4,5-dioxo-N-(3-quinolin-3-ylpropyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-ethyl-4,5-dioxo-N-(3-quinolin-3-ylpropyl)pyrrolidine-3-carboxamide is CCN1CC(C(=O)NCCCc2cnc3ccccc3c2)C(=O)C1=O.
What is the InChIKey of 1-ethyl-4,5-dioxo-N-(3-quinolin-3-ylpropyl)pyrrolidine-3-carboxamide?
The InChIKey is JRWSCRZOCBKKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-2-22-12-15(17(23)19(22)25)18(24)20-9-5-6-13-10-14-7-3-4-8-16(14)21-11-13/h3-4,7-8,10-11,15H,2,5-6,9,12H2,1H3,(H,20,24).
What are the key properties of 1-ethyl-4,5-dioxo-N-(3-quinolin-3-ylpropyl)pyrrolidine-3-carboxamide?
1-ethyl-4,5-dioxo-N-(3-quinolin-3-ylpropyl)pyrrolidine-3-carboxamide has a molecular weight of 339.39 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4,5-dioxo-N-(3-quinolin-3-ylpropyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 123869454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).