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

C21H17ClN4O3 — CID 46652377

IUPACN'-[1-(2-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]quinoline-2-carbohydrazide
SMILESO=C(NNC(=O)C1CC(=O)N(c2ccccc2Cl)C1)c1ccc2ccccc2n1
InChIInChI=1S/C21H17ClN4O3/c22-15-6-2-4-8-18(15)26-12-14(11-19(26)27)20(28)24-25-21(29)17-10-9-13-5-1-3-7-16(13)23-17/h1-10,14H,11-12H2,(H,24,28)(H,25,29)
InChIKeyLPPYYDPIOGEZSP-UHFFFAOYSA-N
MW408.85 g/mol
LogP2.70
Rot. Bonds3

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

N'-[1-(2-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]quinoline-2-carbohydrazide (PubChem CID 46652377) has the molecular formula C21H17ClN4O3 and a molecular weight of 408.85 g/mol. Its IUPAC name is N'-[1-(2-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]quinoline-2-carbohydrazide.

Molecular Properties

Compound NameN'-[1-(2-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]quinoline-2-carbohydrazide
PubChem CID46652377
Molecular FormulaC21H17ClN4O3
Molecular Weight408.85 g/mol
Exact Mass408.10
IUPAC NameN'-[1-(2-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]quinoline-2-carbohydrazide
SMILESO=C(NNC(=O)C1CC(=O)N(c2ccccc2Cl)C1)c1ccc2ccccc2n1
InChIInChI=1S/C21H17ClN4O3/c22-15-6-2-4-8-18(15)26-12-14(11-19(26)27)20(28)24-25-21(29)17-10-9-13-5-1-3-7-16(13)23-17/h1-10,14H,11-12H2,(H,24,28)(H,25,29)
InChIKeyLPPYYDPIOGEZSP-UHFFFAOYSA-N
XLogP2.70
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.85
LogP ≤ 52.70
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-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]quinoline-2-carbohydrazide
CID 55346229
N'-(4-chlorobenzoyl)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 46523041
N'-[(3R)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]quinoline-2-carbohydrazide
CID 99805784
N'-(cyclopropanecarbonyl)quinoline-2-carbohydrazide
CID 26798961
(3S)-1-(2-chlorophenyl)-5-oxo-N-(2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 8832147
(3S)-1-(2-chlorophenyl)-N-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 40569550
(3S)-1-(2-chlorophenyl)-N-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 26721715
(3S)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 42579807
(3S)-1-(2-chlorophenyl)-N-[2-(methylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 35544399
(3S)-1-(2-chlorophenyl)-N-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 40569551
N-(4-acetamidophenyl)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 2951564
(3R)-1-(2-chlorophenyl)-N-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 26644337

Frequently Asked Questions

What is the IUPAC name of N'-[1-(2-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]quinoline-2-carbohydrazide?
The IUPAC name of N'-[1-(2-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]quinoline-2-carbohydrazide (CID 46652377) is N'-[1-(2-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]quinoline-2-carbohydrazide.
What is the SMILES notation for N'-[1-(2-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]quinoline-2-carbohydrazide?
The canonical SMILES for N'-[1-(2-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]quinoline-2-carbohydrazide is O=C(NNC(=O)C1CC(=O)N(c2ccccc2Cl)C1)c1ccc2ccccc2n1.
What is the InChIKey of N'-[1-(2-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]quinoline-2-carbohydrazide?
The InChIKey is LPPYYDPIOGEZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O3/c22-15-6-2-4-8-18(15)26-12-14(11-19(26)27)20(28)24-25-21(29)17-10-9-13-5-1-3-7-16(13)23-17/h1-10,14H,11-12H2,(H,24,28)(H,25,29).
What are the key properties of N'-[1-(2-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]quinoline-2-carbohydrazide?
N'-[1-(2-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]quinoline-2-carbohydrazide has a molecular weight of 408.85 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(2-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]quinoline-2-carbohydrazide is sourced from PubChem (CID 46652377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).