1-(2-ethylphenyl)-5-oxo-N-quinolin-3-ylpyrrolidine-3-carboxamide

C22H21N3O2 — CID 55517242

IUPAC1-(2-ethylphenyl)-5-oxo-N-quinolin-3-ylpyrrolidine-3-carboxamide
SMILESCCc1ccccc1N1CC(C(=O)Nc2cnc3ccccc3c2)CC1=O
InChIInChI=1S/C22H21N3O2/c1-2-15-7-4-6-10-20(15)25-14-17(12-21(25)26)22(27)24-18-11-16-8-3-5-9-19(16)23-13-18/h3-11,13,17H,2,12,14H2,1H3,(H,24,27)
InChIKeyVOPZBJCXCYTYGJ-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.79
Rot. Bonds4

About 1-(2-ethylphenyl)-5-oxo-N-quinolin-3-ylpyrrolidine-3-carboxamide

1-(2-ethylphenyl)-5-oxo-N-quinolin-3-ylpyrrolidine-3-carboxamide (PubChem CID 55517242) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 1-(2-ethylphenyl)-5-oxo-N-quinolin-3-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-ethylphenyl)-5-oxo-N-quinolin-3-ylpyrrolidine-3-carboxamide
PubChem CID55517242
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name1-(2-ethylphenyl)-5-oxo-N-quinolin-3-ylpyrrolidine-3-carboxamide
SMILESCCc1ccccc1N1CC(C(=O)Nc2cnc3ccccc3c2)CC1=O
InChIInChI=1S/C22H21N3O2/c1-2-15-7-4-6-10-20(15)25-14-17(12-21(25)26)22(27)24-18-11-16-8-3-5-9-19(16)23-13-18/h3-11,13,17H,2,12,14H2,1H3,(H,24,27)
InChIKeyVOPZBJCXCYTYGJ-UHFFFAOYSA-N
XLogP3.79
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(2-ethoxyphenyl)-5-oxo-N-quinolin-3-ylpyrrolidine-3-carboxamide
CID 32838691
1-methyl-5-oxo-N-quinolin-3-ylpyrrolidine-3-carboxamide
CID 43926673
1-(2-ethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 51148262
(3R)-N-(4-acetamidophenyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7220320
(3S)-N-(4-bromo-3,5-dimethylphenyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9004590
(3S)-1-(2-ethylphenyl)-N-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9004578
N-(2,6-diethylphenyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186319
(3R)-1-(2-ethylphenyl)-N-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 9004571
1-(2-ethylphenyl)-N-(5-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 51265881
N-[3,5-bis(trifluoromethyl)phenyl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 88954768
3-[[(3R)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 9004553
methyl 4-[[(3R)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 26098178

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylphenyl)-5-oxo-N-quinolin-3-ylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-ethylphenyl)-5-oxo-N-quinolin-3-ylpyrrolidine-3-carboxamide (CID 55517242) is 1-(2-ethylphenyl)-5-oxo-N-quinolin-3-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-ethylphenyl)-5-oxo-N-quinolin-3-ylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-ethylphenyl)-5-oxo-N-quinolin-3-ylpyrrolidine-3-carboxamide is CCc1ccccc1N1CC(C(=O)Nc2cnc3ccccc3c2)CC1=O.
What is the InChIKey of 1-(2-ethylphenyl)-5-oxo-N-quinolin-3-ylpyrrolidine-3-carboxamide?
The InChIKey is VOPZBJCXCYTYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-2-15-7-4-6-10-20(15)25-14-17(12-21(25)26)22(27)24-18-11-16-8-3-5-9-19(16)23-13-18/h3-11,13,17H,2,12,14H2,1H3,(H,24,27).
What are the key properties of 1-(2-ethylphenyl)-5-oxo-N-quinolin-3-ylpyrrolidine-3-carboxamide?
1-(2-ethylphenyl)-5-oxo-N-quinolin-3-ylpyrrolidine-3-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylphenyl)-5-oxo-N-quinolin-3-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 55517242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).