N'-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]quinoline-2-carbohydrazide

C22H20N4O3 — CID 55346229

IUPACN'-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]quinoline-2-carbohydrazide
SMILESCc1ccc(N2CC(C(=O)NNC(=O)c3ccc4ccccc4n3)CC2=O)cc1
InChIInChI=1S/C22H20N4O3/c1-14-6-9-17(10-7-14)26-13-16(12-20(26)27)21(28)24-25-22(29)19-11-8-15-4-2-3-5-18(15)23-19/h2-11,16H,12-13H2,1H3,(H,24,28)(H,25,29)
InChIKeyVQAKJWHJAYYOEU-UHFFFAOYSA-N
MW388.43 g/mol
LogP2.36
Rot. Bonds3

About N'-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]quinoline-2-carbohydrazide

N'-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]quinoline-2-carbohydrazide (PubChem CID 55346229) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is N'-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]quinoline-2-carbohydrazide.

Molecular Properties

Compound NameN'-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]quinoline-2-carbohydrazide
PubChem CID55346229
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC NameN'-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]quinoline-2-carbohydrazide
SMILESCc1ccc(N2CC(C(=O)NNC(=O)c3ccc4ccccc4n3)CC2=O)cc1
InChIInChI=1S/C22H20N4O3/c1-14-6-9-17(10-7-14)26-13-16(12-20(26)27)21(28)24-25-22(29)19-11-8-15-4-2-3-5-18(15)23-19/h2-11,16H,12-13H2,1H3,(H,24,28)(H,25,29)
InChIKeyVQAKJWHJAYYOEU-UHFFFAOYSA-N
XLogP2.36
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[1-(2-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]quinoline-2-carbohydrazide
CID 46652377
N'-[(3R)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]quinoline-2-carbohydrazide
CID 99805784
N'-(2-fluorobenzoyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 51145340
N'-(cyclopropanecarbonyl)quinoline-2-carbohydrazide
CID 26798961
N'-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-1H-pyrrole-2-carbohydrazide
CID 78812975
N'-(4-fluorobenzoyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 24686411
(3S)-N-(2-chlorophenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 715111
(3R)-N'-[4-(diethylamino)benzoyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 9155875
(3R)-N-(3,5-dimethylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 880261
N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 18086788
N'-(2-chlorobenzoyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 51179819
(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 778085

Frequently Asked Questions

What is the IUPAC name of N'-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]quinoline-2-carbohydrazide?
The IUPAC name of N'-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]quinoline-2-carbohydrazide (CID 55346229) is N'-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]quinoline-2-carbohydrazide.
What is the SMILES notation for N'-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]quinoline-2-carbohydrazide?
The canonical SMILES for N'-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]quinoline-2-carbohydrazide is Cc1ccc(N2CC(C(=O)NNC(=O)c3ccc4ccccc4n3)CC2=O)cc1.
What is the InChIKey of N'-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]quinoline-2-carbohydrazide?
The InChIKey is VQAKJWHJAYYOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3/c1-14-6-9-17(10-7-14)26-13-16(12-20(26)27)21(28)24-25-22(29)19-11-8-15-4-2-3-5-18(15)23-19/h2-11,16H,12-13H2,1H3,(H,24,28)(H,25,29).
What are the key properties of N'-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]quinoline-2-carbohydrazide?
N'-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]quinoline-2-carbohydrazide has a molecular weight of 388.43 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]quinoline-2-carbohydrazide is sourced from PubChem (CID 55346229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).