N'-(3,5-dimethylbenzoyl)quinoline-2-carbohydrazide

C19H17N3O2 — CID 29266891

IUPACN'-(3,5-dimethylbenzoyl)quinoline-2-carbohydrazide
SMILESCc1cc(C)cc(C(=O)NNC(=O)c2ccc3ccccc3n2)c1
InChIInChI=1S/C19H17N3O2/c1-12-9-13(2)11-15(10-12)18(23)21-22-19(24)17-8-7-14-5-3-4-6-16(14)20-17/h3-11H,1-2H3,(H,21,23)(H,22,24)
InChIKeyRALYREOGNSYRKV-UHFFFAOYSA-N
MW319.36 g/mol
LogP2.93
Rot. Bonds2

About N'-(3,5-dimethylbenzoyl)quinoline-2-carbohydrazide

N'-(3,5-dimethylbenzoyl)quinoline-2-carbohydrazide (PubChem CID 29266891) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is N'-(3,5-dimethylbenzoyl)quinoline-2-carbohydrazide.

Molecular Properties

Compound NameN'-(3,5-dimethylbenzoyl)quinoline-2-carbohydrazide
PubChem CID29266891
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC NameN'-(3,5-dimethylbenzoyl)quinoline-2-carbohydrazide
SMILESCc1cc(C)cc(C(=O)NNC(=O)c2ccc3ccccc3n2)c1
InChIInChI=1S/C19H17N3O2/c1-12-9-13(2)11-15(10-12)18(23)21-22-19(24)17-8-7-14-5-3-4-6-16(14)20-17/h3-11H,1-2H3,(H,21,23)(H,22,24)
InChIKeyRALYREOGNSYRKV-UHFFFAOYSA-N
XLogP2.93
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.93
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

(3,5-dimethylphenyl)-quinolin-2-ylmethanone
CID 63222794
N'-(4-fluorobenzoyl)quinoline-2-carbohydrazide
CID 7779547
N'-(3-fluorobenzoyl)quinoline-2-carbohydrazide
CID 35063560
N'-butanoylquinoline-2-carbohydrazide
CID 29266790
(3-iodo-5-methylphenyl)-quinolin-2-ylmethanone
CID 122393251
N'-[5-methyl-1-(4-methylphenyl)triazole-4-carbonyl]quinoline-2-carbohydrazide
CID 55881693
N'-(5-methyl-1H-indazole-3-carbonyl)quinoline-2-carbohydrazide
CID 78868409
N'-[3-(difluoromethoxy)benzoyl]quinoline-2-carbohydrazide
CID 35064242
N'-(cyclopropanecarbonyl)quinoline-2-carbohydrazide
CID 26798961
N-propan-2-yl-4-[(quinoline-2-carbonylamino)carbamoyl]benzenesulfonamide
CID 35067665
N'-(3-methoxy-4-propoxybenzoyl)quinoline-2-carbohydrazide
CID 26621825
N'-(quinoline-2-carbonyl)-1,3-oxazole-4-carbohydrazide
CID 166194916

Frequently Asked Questions

What is the IUPAC name of N'-(3,5-dimethylbenzoyl)quinoline-2-carbohydrazide?
The IUPAC name of N'-(3,5-dimethylbenzoyl)quinoline-2-carbohydrazide (CID 29266891) is N'-(3,5-dimethylbenzoyl)quinoline-2-carbohydrazide.
What is the SMILES notation for N'-(3,5-dimethylbenzoyl)quinoline-2-carbohydrazide?
The canonical SMILES for N'-(3,5-dimethylbenzoyl)quinoline-2-carbohydrazide is Cc1cc(C)cc(C(=O)NNC(=O)c2ccc3ccccc3n2)c1.
What is the InChIKey of N'-(3,5-dimethylbenzoyl)quinoline-2-carbohydrazide?
The InChIKey is RALYREOGNSYRKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-12-9-13(2)11-15(10-12)18(23)21-22-19(24)17-8-7-14-5-3-4-6-16(14)20-17/h3-11H,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N'-(3,5-dimethylbenzoyl)quinoline-2-carbohydrazide?
N'-(3,5-dimethylbenzoyl)quinoline-2-carbohydrazide has a molecular weight of 319.36 g/mol, XLogP of 2.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,5-dimethylbenzoyl)quinoline-2-carbohydrazide is sourced from PubChem (CID 29266891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).