2-(3,4-dimethoxyphenyl)-N'-(3,3-dimethylbutanoyl)quinoline-4-carbohydrazide

C24H27N3O4 — CID 55376531

IUPAC2-(3,4-dimethoxyphenyl)-N'-(3,3-dimethylbutanoyl)quinoline-4-carbohydrazide
SMILESCOc1ccc(-c2cc(C(=O)NNC(=O)CC(C)(C)C)c3ccccc3n2)cc1OC
InChIInChI=1S/C24H27N3O4/c1-24(2,3)14-22(28)26-27-23(29)17-13-19(25-18-9-7-6-8-16(17)18)15-10-11-20(30-4)21(12-15)31-5/h6-13H,14H2,1-5H3,(H,26,28)(H,27,29)
InChIKeyVVWIGMCDSWHZOF-UHFFFAOYSA-N
MW421.50 g/mol
LogP4.12
Rot. Bonds5

About 2-(3,4-dimethoxyphenyl)-N'-(3,3-dimethylbutanoyl)quinoline-4-carbohydrazide

2-(3,4-dimethoxyphenyl)-N'-(3,3-dimethylbutanoyl)quinoline-4-carbohydrazide (PubChem CID 55376531) has the molecular formula C24H27N3O4 and a molecular weight of 421.50 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N'-(3,3-dimethylbutanoyl)quinoline-4-carbohydrazide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N'-(3,3-dimethylbutanoyl)quinoline-4-carbohydrazide
PubChem CID55376531
Molecular FormulaC24H27N3O4
Molecular Weight421.50 g/mol
Exact Mass421.20
IUPAC Name2-(3,4-dimethoxyphenyl)-N'-(3,3-dimethylbutanoyl)quinoline-4-carbohydrazide
SMILESCOc1ccc(-c2cc(C(=O)NNC(=O)CC(C)(C)C)c3ccccc3n2)cc1OC
InChIInChI=1S/C24H27N3O4/c1-24(2,3)14-22(28)26-27-23(29)17-13-19(25-18-9-7-6-8-16(17)18)15-10-11-20(30-4)21(12-15)31-5/h6-13H,14H2,1-5H3,(H,26,28)(H,27,29)
InChIKeyVVWIGMCDSWHZOF-UHFFFAOYSA-N
XLogP4.12
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-dimethoxyphenyl)-N'-(2,5-dimethylfuran-3-carbonyl)quinoline-4-carbohydrazide
CID 29169171
2-(3,4-dimethoxyphenyl)-N-naphthalen-1-ylquinoline-4-carboxamide
CID 3253298
N-[(2S)-1-[2-[2-(3,4-dimethoxyphenyl)quinoline-4-carbonyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]acetamide
CID 52507937
(2-benzamido-2-oxoethyl) 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate
CID 42968678
2-(3,4-dimethoxyphenyl)-N-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 2161835
2-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)quinoline-4-carboxamide
CID 4557332
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide
CID 55908058
2-(3,4-dimethoxyphenyl)-N-[(1S)-1-phenylethyl]quinoline-4-carboxamide
CID 1273223
N'-(2-methoxybenzoyl)-2-phenylquinoline-4-carbohydrazide
CID 6734416
2-(3,4-dimethoxyphenyl)-N-octylquinoline-4-carboxamide
CID 3664969
2-(3,4-dimethoxyphenyl)-N-(3-ethylphenyl)quinoline-4-carboxamide
CID 4207709
[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate
CID 2693430

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N'-(3,3-dimethylbutanoyl)quinoline-4-carbohydrazide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N'-(3,3-dimethylbutanoyl)quinoline-4-carbohydrazide (CID 55376531) is 2-(3,4-dimethoxyphenyl)-N'-(3,3-dimethylbutanoyl)quinoline-4-carbohydrazide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N'-(3,3-dimethylbutanoyl)quinoline-4-carbohydrazide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N'-(3,3-dimethylbutanoyl)quinoline-4-carbohydrazide is COc1ccc(-c2cc(C(=O)NNC(=O)CC(C)(C)C)c3ccccc3n2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N'-(3,3-dimethylbutanoyl)quinoline-4-carbohydrazide?
The InChIKey is VVWIGMCDSWHZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4/c1-24(2,3)14-22(28)26-27-23(29)17-13-19(25-18-9-7-6-8-16(17)18)15-10-11-20(30-4)21(12-15)31-5/h6-13H,14H2,1-5H3,(H,26,28)(H,27,29).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N'-(3,3-dimethylbutanoyl)quinoline-4-carbohydrazide?
2-(3,4-dimethoxyphenyl)-N'-(3,3-dimethylbutanoyl)quinoline-4-carbohydrazide has a molecular weight of 421.50 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N'-(3,3-dimethylbutanoyl)quinoline-4-carbohydrazide is sourced from PubChem (CID 55376531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).