N'-[3-(3-chloro-4-methylphenyl)propanoyl]quinoline-2-carbohydrazide

C20H18ClN3O2 — CID 35070266

IUPACN'-[3-(3-chloro-4-methylphenyl)propanoyl]quinoline-2-carbohydrazide
SMILESCc1ccc(CCC(=O)NNC(=O)c2ccc3ccccc3n2)cc1Cl
InChIInChI=1S/C20H18ClN3O2/c1-13-6-7-14(12-16(13)21)8-11-19(25)23-24-20(26)18-10-9-15-4-2-3-5-17(15)22-18/h2-7,9-10,12H,8,11H2,1H3,(H,23,25)(H,24,26)
InChIKeyQJDJBLRWNUZYTN-UHFFFAOYSA-N
MW367.84 g/mol
LogP3.59
Rot. Bonds4

About N'-[3-(3-chloro-4-methylphenyl)propanoyl]quinoline-2-carbohydrazide

N'-[3-(3-chloro-4-methylphenyl)propanoyl]quinoline-2-carbohydrazide (PubChem CID 35070266) has the molecular formula C20H18ClN3O2 and a molecular weight of 367.84 g/mol. Its IUPAC name is N'-[3-(3-chloro-4-methylphenyl)propanoyl]quinoline-2-carbohydrazide.

Molecular Properties

Compound NameN'-[3-(3-chloro-4-methylphenyl)propanoyl]quinoline-2-carbohydrazide
PubChem CID35070266
Molecular FormulaC20H18ClN3O2
Molecular Weight367.84 g/mol
Exact Mass367.11
IUPAC NameN'-[3-(3-chloro-4-methylphenyl)propanoyl]quinoline-2-carbohydrazide
SMILESCc1ccc(CCC(=O)NNC(=O)c2ccc3ccccc3n2)cc1Cl
InChIInChI=1S/C20H18ClN3O2/c1-13-6-7-14(12-16(13)21)8-11-19(25)23-24-20(26)18-10-9-15-4-2-3-5-17(15)22-18/h2-7,9-10,12H,8,11H2,1H3,(H,23,25)(H,24,26)
InChIKeyQJDJBLRWNUZYTN-UHFFFAOYSA-N
XLogP3.59
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[3-(3-chloro-4-methylphenyl)propanoyl]pyridine-2-carbohydrazide
CID 46662074
N'-butanoylquinoline-2-carbohydrazide
CID 29266790
N'-[2-(2-chlorophenyl)acetyl]quinoline-2-carbohydrazide
CID 29266373
N'-[4-(3,4-dichlorophenyl)butanoyl]-2-methylbenzohydrazide
CID 55822719
N'-[3-(3-chloro-4-methylphenyl)propanoyl]-4-[(5-phenyltetrazol-2-yl)methyl]benzohydrazide
CID 24586128
N'-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoyl]quinoline-2-carbohydrazide
CID 35069467
2-[3-(3-chloro-4-methylphenyl)propanoylamino]-N-methylbenzamide
CID 34755714
N'-(2-naphthalen-2-ylsulfanylacetyl)quinoline-2-carbohydrazide
CID 35064538
N-[(3-chloro-4-fluorophenyl)methyl]quinoline-2-carboxamide
CID 71822257
N-(2-chlorophenyl)quinoline-2-carboxamide
CID 878226
3-(3-chloro-4-methylphenyl)-N-(1-phenylethyl)propanamide
CID 42925205
3-(3-chloro-4-methylphenyl)-N-(1H-pyrazol-4-yl)propanamide
CID 43429706

Frequently Asked Questions

What is the IUPAC name of N'-[3-(3-chloro-4-methylphenyl)propanoyl]quinoline-2-carbohydrazide?
The IUPAC name of N'-[3-(3-chloro-4-methylphenyl)propanoyl]quinoline-2-carbohydrazide (CID 35070266) is N'-[3-(3-chloro-4-methylphenyl)propanoyl]quinoline-2-carbohydrazide.
What is the SMILES notation for N'-[3-(3-chloro-4-methylphenyl)propanoyl]quinoline-2-carbohydrazide?
The canonical SMILES for N'-[3-(3-chloro-4-methylphenyl)propanoyl]quinoline-2-carbohydrazide is Cc1ccc(CCC(=O)NNC(=O)c2ccc3ccccc3n2)cc1Cl.
What is the InChIKey of N'-[3-(3-chloro-4-methylphenyl)propanoyl]quinoline-2-carbohydrazide?
The InChIKey is QJDJBLRWNUZYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O2/c1-13-6-7-14(12-16(13)21)8-11-19(25)23-24-20(26)18-10-9-15-4-2-3-5-17(15)22-18/h2-7,9-10,12H,8,11H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N'-[3-(3-chloro-4-methylphenyl)propanoyl]quinoline-2-carbohydrazide?
N'-[3-(3-chloro-4-methylphenyl)propanoyl]quinoline-2-carbohydrazide has a molecular weight of 367.84 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(3-chloro-4-methylphenyl)propanoyl]quinoline-2-carbohydrazide is sourced from PubChem (CID 35070266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).