2-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]-2-oxo-N-quinolin-8-ylacetamide

C20H19N3O3 — CID 95354467

IUPAC2-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]-2-oxo-N-quinolin-8-ylacetamide
SMILESCc1ccc([C@@H]2CCCN2C(=O)C(=O)Nc2cccc3cccnc23)o1
InChIInChI=1S/C20H19N3O3/c1-13-9-10-17(26-13)16-8-4-12-23(16)20(25)19(24)22-15-7-2-5-14-6-3-11-21-18(14)15/h2-3,5-7,9-11,16H,4,8,12H2,1H3,(H,22,24)/t16-/m0/s1
InChIKeyPNSRTVBTABHMBZ-INIZCTEOSA-N
MW349.39 g/mol
LogP3.44
Rot. Bonds2

About 2-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]-2-oxo-N-quinolin-8-ylacetamide

2-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]-2-oxo-N-quinolin-8-ylacetamide (PubChem CID 95354467) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 2-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]-2-oxo-N-quinolin-8-ylacetamide.

Molecular Properties

Compound Name2-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]-2-oxo-N-quinolin-8-ylacetamide
PubChem CID95354467
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name2-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]-2-oxo-N-quinolin-8-ylacetamide
SMILESCc1ccc([C@@H]2CCCN2C(=O)C(=O)Nc2cccc3cccnc23)o1
InChIInChI=1S/C20H19N3O3/c1-13-9-10-17(26-13)16-8-4-12-23(16)20(25)19(24)22-15-7-2-5-14-6-3-11-21-18(14)15/h2-3,5-7,9-11,16H,4,8,12H2,1H3,(H,22,24)/t16-/m0/s1
InChIKeyPNSRTVBTABHMBZ-INIZCTEOSA-N
XLogP3.44
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]-N-(4-methyl-3-pyridinyl)-2-oxoacetamide
CID 97007974
2-[(2R)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]-N-(4-methyl-3-pyridinyl)-2-oxoacetamide
CID 97007973
tert-butyl (2S)-2-(quinolin-8-ylcarbamoyl)pyrrolidine-1-carboxylate
CID 69444585
(2S)-2-cyclopentyl-N-quinolin-8-ylpyrrolidine-1-carboxamide
CID 94652787
2-(4-methylpiperazin-1-yl)-2-oxo-N-quinolin-8-ylacetamide
CID 108517149
N-[(3S)-1-methylpiperidin-3-yl]-N'-quinolin-8-yloxamide
CID 96998789
N-quinolin-8-ylcyclohexanecarboxamide
CID 835933
2-(1H-pyrrol-2-yl)-N-quinolin-8-ylpyrrolidine-1-carboxamide
CID 48791386
3-(5-methylfuran-2-yl)-N-quinolin-8-ylprop-2-enamide
CID 721179
3-(2-ethylpiperidin-1-yl)-3-oxo-N-quinolin-8-ylpropanamide
CID 108952272
N-quinolin-8-yloxane-2-carboxamide
CID 110863491
2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxo-N-quinolin-8-ylacetamide
CID 108522906

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]-2-oxo-N-quinolin-8-ylacetamide?
The IUPAC name of 2-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]-2-oxo-N-quinolin-8-ylacetamide (CID 95354467) is 2-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]-2-oxo-N-quinolin-8-ylacetamide.
What is the SMILES notation for 2-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]-2-oxo-N-quinolin-8-ylacetamide?
The canonical SMILES for 2-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]-2-oxo-N-quinolin-8-ylacetamide is Cc1ccc([C@@H]2CCCN2C(=O)C(=O)Nc2cccc3cccnc23)o1.
What is the InChIKey of 2-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]-2-oxo-N-quinolin-8-ylacetamide?
The InChIKey is PNSRTVBTABHMBZ-INIZCTEOSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-13-9-10-17(26-13)16-8-4-12-23(16)20(25)19(24)22-15-7-2-5-14-6-3-11-21-18(14)15/h2-3,5-7,9-11,16H,4,8,12H2,1H3,(H,22,24)/t16-/m0/s1.
What are the key properties of 2-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]-2-oxo-N-quinolin-8-ylacetamide?
2-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]-2-oxo-N-quinolin-8-ylacetamide has a molecular weight of 349.39 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]-2-oxo-N-quinolin-8-ylacetamide is sourced from PubChem (CID 95354467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).