2-(4-chlorophenyl)-N'-[3-(methylsulfinylmethyl)benzoyl]quinoline-4-carbohydrazide

C25H20ClN3O3S — CID 134011618

IUPAC2-(4-chlorophenyl)-N'-[3-(methylsulfinylmethyl)benzoyl]quinoline-4-carbohydrazide
SMILESCS(=O)Cc1cccc(C(=O)NNC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)c1
InChIInChI=1S/C25H20ClN3O3S/c1-33(32)15-16-5-4-6-18(13-16)24(30)28-29-25(31)21-14-23(17-9-11-19(26)12-10-17)27-22-8-3-2-7-20(21)22/h2-14H,15H2,1H3,(H,28,30)(H,29,31)
InChIKeyLRBSWKUFCUIJBO-UHFFFAOYSA-N
MW477.97 g/mol
LogP4.51
Rot. Bonds5

About 2-(4-chlorophenyl)-N'-[3-(methylsulfinylmethyl)benzoyl]quinoline-4-carbohydrazide

2-(4-chlorophenyl)-N'-[3-(methylsulfinylmethyl)benzoyl]quinoline-4-carbohydrazide (PubChem CID 134011618) has the molecular formula C25H20ClN3O3S and a molecular weight of 477.97 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N'-[3-(methylsulfinylmethyl)benzoyl]quinoline-4-carbohydrazide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N'-[3-(methylsulfinylmethyl)benzoyl]quinoline-4-carbohydrazide
PubChem CID134011618
Molecular FormulaC25H20ClN3O3S
Molecular Weight477.97 g/mol
Exact Mass477.09
IUPAC Name2-(4-chlorophenyl)-N'-[3-(methylsulfinylmethyl)benzoyl]quinoline-4-carbohydrazide
SMILESCS(=O)Cc1cccc(C(=O)NNC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)c1
InChIInChI=1S/C25H20ClN3O3S/c1-33(32)15-16-5-4-6-18(13-16)24(30)28-29-25(31)21-14-23(17-9-11-19(26)12-10-17)27-22-8-3-2-7-20(21)22/h2-14H,15H2,1H3,(H,28,30)(H,29,31)
InChIKeyLRBSWKUFCUIJBO-UHFFFAOYSA-N
XLogP4.51
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.97
LogP ≤ 54.51
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

2-(4-chlorophenyl)-N'-(3,4,5-trimethoxybenzoyl)quinoline-4-carbohydrazide
CID 24540316
1-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]-3-propan-2-ylthiourea
CID 7940652
2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide
CID 5115230
2-(4-chlorophenyl)-N'-(2-methylcyclopropanecarbonyl)quinoline-4-carbohydrazide
CID 24540320
1-(4-chlorophenyl)-3-[(2-phenylquinoline-4-carbonyl)amino]thiourea
CID 3005269
N-[1-[2-[2-(4-chlorophenyl)quinoline-4-carbonyl]hydrazinyl]-1-oxopropan-2-yl]acetamide
CID 24644519
N'-(1-acetyl-2,3-dihydroindole-5-carbonyl)-2-(4-chlorophenyl)quinoline-4-carbohydrazide
CID 24540351
2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide
CID 5141556
N'-[3-(methylsulfonylmethyl)benzoyl]-2-pyridin-2-ylquinoline-4-carbohydrazide
CID 27680084
3-[[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]carbamoyl]-4-methylbenzenesulfonamide
CID 24540352
N-(4-chloro-2-methylphenyl)-2-(4-chlorophenyl)quinoline-4-carboxamide
CID 7914734
2-(4-chlorophenyl)-N-(2-methylnaphthalen-1-yl)quinoline-4-carboxamide
CID 3165622

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N'-[3-(methylsulfinylmethyl)benzoyl]quinoline-4-carbohydrazide?
The IUPAC name of 2-(4-chlorophenyl)-N'-[3-(methylsulfinylmethyl)benzoyl]quinoline-4-carbohydrazide (CID 134011618) is 2-(4-chlorophenyl)-N'-[3-(methylsulfinylmethyl)benzoyl]quinoline-4-carbohydrazide.
What is the SMILES notation for 2-(4-chlorophenyl)-N'-[3-(methylsulfinylmethyl)benzoyl]quinoline-4-carbohydrazide?
The canonical SMILES for 2-(4-chlorophenyl)-N'-[3-(methylsulfinylmethyl)benzoyl]quinoline-4-carbohydrazide is CS(=O)Cc1cccc(C(=O)NNC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)c1.
What is the InChIKey of 2-(4-chlorophenyl)-N'-[3-(methylsulfinylmethyl)benzoyl]quinoline-4-carbohydrazide?
The InChIKey is LRBSWKUFCUIJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClN3O3S/c1-33(32)15-16-5-4-6-18(13-16)24(30)28-29-25(31)21-14-23(17-9-11-19(26)12-10-17)27-22-8-3-2-7-20(21)22/h2-14H,15H2,1H3,(H,28,30)(H,29,31).
What are the key properties of 2-(4-chlorophenyl)-N'-[3-(methylsulfinylmethyl)benzoyl]quinoline-4-carbohydrazide?
2-(4-chlorophenyl)-N'-[3-(methylsulfinylmethyl)benzoyl]quinoline-4-carbohydrazide has a molecular weight of 477.97 g/mol, XLogP of 4.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N'-[3-(methylsulfinylmethyl)benzoyl]quinoline-4-carbohydrazide is sourced from PubChem (CID 134011618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).