N-benzyl-N-ethyl-5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide

C23H23N3O2 — CID 113190542

IUPACN-benzyl-N-ethyl-5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)C1CC(=O)N(c2cccc3cccnc23)C1
InChIInChI=1S/C23H23N3O2/c1-2-25(15-17-8-4-3-5-9-17)23(28)19-14-21(27)26(16-19)20-12-6-10-18-11-7-13-24-22(18)20/h3-13,19H,2,14-16H2,1H3
InChIKeyHDVXDRNOSKUXIM-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.64
Rot. Bonds5

About N-benzyl-N-ethyl-5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide

N-benzyl-N-ethyl-5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide (PubChem CID 113190542) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is N-benzyl-N-ethyl-5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide
PubChem CID113190542
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC NameN-benzyl-N-ethyl-5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)C1CC(=O)N(c2cccc3cccnc23)C1
InChIInChI=1S/C23H23N3O2/c1-2-25(15-17-8-4-3-5-9-17)23(28)19-14-21(27)26(16-19)20-12-6-10-18-11-7-13-24-22(18)20/h3-13,19H,2,14-16H2,1H3
InChIKeyHDVXDRNOSKUXIM-UHFFFAOYSA-N
XLogP3.64
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-1-(3-chloro-2-methylphenyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 113187488
5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide
CID 168698201
1-(4-acetylphenyl)-N-benzyl-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 113188899
1-(2-ethoxyphenyl)-N,N-diethyl-5-oxopyrrolidine-3-carboxamide
CID 18886165
(3S)-N,N-diethyl-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9350860
ethyl 4-(5-oxo-1-quinolin-8-ylpyrrolidine-3-carbonyl)piperazine-1-carboxylate
CID 113190556
methyl 3-[4-[benzyl(ethyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate
CID 113189282
1-N-benzyl-1-N-ethyl-2-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide
CID 109136841
N-(2-ethyl-6-methylphenyl)-5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide
CID 113190574
4-chloro-1-quinolin-8-ylpyrrolidin-2-one
CID 168689599
(3S)-N,N-diethyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 9350542
N-benzyl-N-ethyl-5-oxo-1-pentylpyrrolidine-3-carboxamide
CID 113185676

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-benzyl-N-ethyl-5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide (CID 113190542) is N-benzyl-N-ethyl-5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-benzyl-N-ethyl-5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-benzyl-N-ethyl-5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide is CCN(Cc1ccccc1)C(=O)C1CC(=O)N(c2cccc3cccnc23)C1.
What is the InChIKey of N-benzyl-N-ethyl-5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide?
The InChIKey is HDVXDRNOSKUXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-2-25(15-17-8-4-3-5-9-17)23(28)19-14-21(27)26(16-19)20-12-6-10-18-11-7-13-24-22(18)20/h3-13,19H,2,14-16H2,1H3.
What are the key properties of N-benzyl-N-ethyl-5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide?
N-benzyl-N-ethyl-5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide has a molecular weight of 373.46 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 113190542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).