3-(2,5-dioxopyrrolidin-1-yl)-N-quinolin-8-ylbenzamide

C20H15N3O3 — CID 969597

IUPAC3-(2,5-dioxopyrrolidin-1-yl)-N-quinolin-8-ylbenzamide
SMILESO=C(Nc1cccc2cccnc12)c1cccc(N2C(=O)CCC2=O)c1
InChIInChI=1S/C20H15N3O3/c24-17-9-10-18(25)23(17)15-7-1-5-14(12-15)20(26)22-16-8-2-4-13-6-3-11-21-19(13)16/h1-8,11-12H,9-10H2,(H,22,26)
InChIKeyYZYRGUGTXAWUEI-UHFFFAOYSA-N
MW345.36 g/mol
LogP3.14
Rot. Bonds3

About 3-(2,5-dioxopyrrolidin-1-yl)-N-quinolin-8-ylbenzamide

3-(2,5-dioxopyrrolidin-1-yl)-N-quinolin-8-ylbenzamide (PubChem CID 969597) has the molecular formula C20H15N3O3 and a molecular weight of 345.36 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrolidin-1-yl)-N-quinolin-8-ylbenzamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrolidin-1-yl)-N-quinolin-8-ylbenzamide
PubChem CID969597
Molecular FormulaC20H15N3O3
Molecular Weight345.36 g/mol
Exact Mass345.11
IUPAC Name3-(2,5-dioxopyrrolidin-1-yl)-N-quinolin-8-ylbenzamide
SMILESO=C(Nc1cccc2cccnc12)c1cccc(N2C(=O)CCC2=O)c1
InChIInChI=1S/C20H15N3O3/c24-17-9-10-18(25)23(17)15-7-1-5-14(12-15)20(26)22-16-8-2-4-13-6-3-11-21-19(13)16/h1-8,11-12H,9-10H2,(H,22,26)
InChIKeyYZYRGUGTXAWUEI-UHFFFAOYSA-N
XLogP3.14
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 53.14
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

1-(Quinoxalin-6-ylcarbonyl)piperidine
CID 148184
IWR-1-endo
CID 44483163
Iron oxide, spent
CID 5327711
4-[3-(4-Oxo-3,4-Dihydroquinazolin-2-Yl)propanamido]-N-(Quinolin-8-Yl)benzamide
CID 135567125
4-tert-butyl-N-(quinolin-3-yl)benzamide
CID 797382
4-butyl-N-(quinolin-3-yl)benzamide
CID 1860395
N-Quinolin-3-yl-3-tetrazol-1-yl-benzamide
CID 651603
IWR-1-exo
CID 1163034
4-propyl-N-quinolin-3-ylbenzamide
CID 4298023
4-nonyl-N-quinolin-3-ylbenzamide
CID 4375060
3-(7-amino-1-methyl-1H-indol-3-yl)-4-(1-methyl-1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 5327691
3-[4-(Trifluoromethyl)phenyl]quinoxaline-5-carboxamide
CID 9922953

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-N-quinolin-8-ylbenzamide?
The IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-N-quinolin-8-ylbenzamide (CID 969597) is 3-(2,5-dioxopyrrolidin-1-yl)-N-quinolin-8-ylbenzamide.
What is the SMILES notation for 3-(2,5-dioxopyrrolidin-1-yl)-N-quinolin-8-ylbenzamide?
The canonical SMILES for 3-(2,5-dioxopyrrolidin-1-yl)-N-quinolin-8-ylbenzamide is O=C(Nc1cccc2cccnc12)c1cccc(N2C(=O)CCC2=O)c1.
What is the InChIKey of 3-(2,5-dioxopyrrolidin-1-yl)-N-quinolin-8-ylbenzamide?
The InChIKey is YZYRGUGTXAWUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O3/c24-17-9-10-18(25)23(17)15-7-1-5-14(12-15)20(26)22-16-8-2-4-13-6-3-11-21-19(13)16/h1-8,11-12H,9-10H2,(H,22,26).
What are the key properties of 3-(2,5-dioxopyrrolidin-1-yl)-N-quinolin-8-ylbenzamide?
3-(2,5-dioxopyrrolidin-1-yl)-N-quinolin-8-ylbenzamide has a molecular weight of 345.36 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrolidin-1-yl)-N-quinolin-8-ylbenzamide is sourced from PubChem (CID 969597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).