N'-[3-(methylsulfonylmethyl)benzoyl]-2-pyridin-2-ylquinoline-4-carbohydrazide

C24H20N4O4S — CID 27680084

IUPACN'-[3-(methylsulfonylmethyl)benzoyl]-2-pyridin-2-ylquinoline-4-carbohydrazide
SMILESCS(=O)(=O)Cc1cccc(C(=O)NNC(=O)c2cc(-c3ccccn3)nc3ccccc23)c1
InChIInChI=1S/C24H20N4O4S/c1-33(31,32)15-16-7-6-8-17(13-16)23(29)27-28-24(30)19-14-22(21-11-4-5-12-25-21)26-20-10-3-2-9-18(19)20/h2-14H,15H2,1H3,(H,27,29)(H,28,30)
InChIKeyWKUDNAAJTMBGAH-UHFFFAOYSA-N
MW460.52 g/mol
LogP2.92
Rot. Bonds5

About N'-[3-(methylsulfonylmethyl)benzoyl]-2-pyridin-2-ylquinoline-4-carbohydrazide

N'-[3-(methylsulfonylmethyl)benzoyl]-2-pyridin-2-ylquinoline-4-carbohydrazide (PubChem CID 27680084) has the molecular formula C24H20N4O4S and a molecular weight of 460.52 g/mol. Its IUPAC name is N'-[3-(methylsulfonylmethyl)benzoyl]-2-pyridin-2-ylquinoline-4-carbohydrazide.

Molecular Properties

Compound NameN'-[3-(methylsulfonylmethyl)benzoyl]-2-pyridin-2-ylquinoline-4-carbohydrazide
PubChem CID27680084
Molecular FormulaC24H20N4O4S
Molecular Weight460.52 g/mol
Exact Mass460.12
IUPAC NameN'-[3-(methylsulfonylmethyl)benzoyl]-2-pyridin-2-ylquinoline-4-carbohydrazide
SMILESCS(=O)(=O)Cc1cccc(C(=O)NNC(=O)c2cc(-c3ccccn3)nc3ccccc23)c1
InChIInChI=1S/C24H20N4O4S/c1-33(31,32)15-16-7-6-8-17(13-16)23(29)27-28-24(30)19-14-22(21-11-4-5-12-25-21)26-20-10-3-2-9-18(19)20/h2-14H,15H2,1H3,(H,27,29)(H,28,30)
InChIKeyWKUDNAAJTMBGAH-UHFFFAOYSA-N
XLogP2.92
TPSA118.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.52
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-naphthalen-1-ylacetyl)-2-pyridin-2-ylquinoline-4-carbohydrazide
CID 42386438
N'-(4-methylpentanoyl)-2-pyridin-2-ylquinoline-4-carbohydrazide
CID 26775333
N-ethyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 17473754
N-[3-oxo-3-[2-(2-pyridin-2-ylquinoline-4-carbonyl)hydrazinyl]propyl]benzamide
CID 4801871
N'-(5,6-dichloropyridine-3-carbonyl)-2-pyridin-2-ylquinoline-4-carbohydrazide
CID 4963799
N'-[(E)-3-(3-methylphenyl)prop-2-enoyl]-2-pyridin-2-ylquinoline-4-carbohydrazide
CID 26775351
N-(4-phenylmethoxyphenyl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 1257102
2-pyridin-2-yl-N'-(2-thiophen-2-ylacetyl)quinoline-4-carbohydrazide
CID 40599644
N-(5-methyl-1H-pyrazol-3-yl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 4793520
(4-benzylsulfonylpiperazin-1-yl)-(2-pyridin-2-ylquinolin-4-yl)methanone
CID 17430035
2-(4-chlorophenyl)-N'-[3-(methylsulfinylmethyl)benzoyl]quinoline-4-carbohydrazide
CID 134011618
methyl 4-[(2-pyridin-2-ylquinoline-4-carbonyl)amino]benzoate
CID 2220860

Frequently Asked Questions

What is the IUPAC name of N'-[3-(methylsulfonylmethyl)benzoyl]-2-pyridin-2-ylquinoline-4-carbohydrazide?
The IUPAC name of N'-[3-(methylsulfonylmethyl)benzoyl]-2-pyridin-2-ylquinoline-4-carbohydrazide (CID 27680084) is N'-[3-(methylsulfonylmethyl)benzoyl]-2-pyridin-2-ylquinoline-4-carbohydrazide.
What is the SMILES notation for N'-[3-(methylsulfonylmethyl)benzoyl]-2-pyridin-2-ylquinoline-4-carbohydrazide?
The canonical SMILES for N'-[3-(methylsulfonylmethyl)benzoyl]-2-pyridin-2-ylquinoline-4-carbohydrazide is CS(=O)(=O)Cc1cccc(C(=O)NNC(=O)c2cc(-c3ccccn3)nc3ccccc23)c1.
What is the InChIKey of N'-[3-(methylsulfonylmethyl)benzoyl]-2-pyridin-2-ylquinoline-4-carbohydrazide?
The InChIKey is WKUDNAAJTMBGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O4S/c1-33(31,32)15-16-7-6-8-17(13-16)23(29)27-28-24(30)19-14-22(21-11-4-5-12-25-21)26-20-10-3-2-9-18(19)20/h2-14H,15H2,1H3,(H,27,29)(H,28,30).
What are the key properties of N'-[3-(methylsulfonylmethyl)benzoyl]-2-pyridin-2-ylquinoline-4-carbohydrazide?
N'-[3-(methylsulfonylmethyl)benzoyl]-2-pyridin-2-ylquinoline-4-carbohydrazide has a molecular weight of 460.52 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(methylsulfonylmethyl)benzoyl]-2-pyridin-2-ylquinoline-4-carbohydrazide is sourced from PubChem (CID 27680084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).