2-(4-methoxyphenyl)-N'-(2-methylpropanoyl)quinoline-4-carbohydrazide

C21H21N3O3 — CID 24542943

IUPAC2-(4-methoxyphenyl)-N'-(2-methylpropanoyl)quinoline-4-carbohydrazide
SMILESCOc1ccc(-c2cc(C(=O)NNC(=O)C(C)C)c3ccccc3n2)cc1
InChIInChI=1S/C21H21N3O3/c1-13(2)20(25)23-24-21(26)17-12-19(14-8-10-15(27-3)11-9-14)22-18-7-5-4-6-16(17)18/h4-13H,1-3H3,(H,23,25)(H,24,26)
InChIKeyBCKRFCGTDIMICD-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.33
Rot. Bonds4

About 2-(4-methoxyphenyl)-N'-(2-methylpropanoyl)quinoline-4-carbohydrazide

2-(4-methoxyphenyl)-N'-(2-methylpropanoyl)quinoline-4-carbohydrazide (PubChem CID 24542943) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N'-(2-methylpropanoyl)quinoline-4-carbohydrazide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N'-(2-methylpropanoyl)quinoline-4-carbohydrazide
PubChem CID24542943
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name2-(4-methoxyphenyl)-N'-(2-methylpropanoyl)quinoline-4-carbohydrazide
SMILESCOc1ccc(-c2cc(C(=O)NNC(=O)C(C)C)c3ccccc3n2)cc1
InChIInChI=1S/C21H21N3O3/c1-13(2)20(25)23-24-21(26)17-12-19(14-8-10-15(27-3)11-9-14)22-18-7-5-4-6-16(17)18/h4-13H,1-3H3,(H,23,25)(H,24,26)
InChIKeyBCKRFCGTDIMICD-UHFFFAOYSA-N
XLogP3.33
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.33
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

N'-(2,5-dimethylfuran-3-carbonyl)-2-(4-methoxyphenyl)quinoline-4-carbohydrazide
CID 9468216
N'-[2-(4-fluorophenyl)acetyl]-2-(4-methoxyphenyl)quinoline-4-carbohydrazide
CID 26657004
2-(3-bromophenyl)-N'-(2-methylpropanoyl)quinoline-4-carbohydrazide
CID 26890699
1-tert-butyl-3-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]thiourea
CID 9425509
2-(4-methoxyphenyl)-N-[(2R)-2-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide
CID 2165480
N-[2,6-di(propan-2-yl)phenyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 4863761
2-(4-methoxyphenyl)-N-[4-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]butyl]quinoline-4-carboxamide
CID 3631336
N-(4-methoxyphenyl)-2-phenylquinoline-4-carboxamide
CID 1035332
N'-(2-methoxybenzoyl)-2-phenylquinoline-4-carbohydrazide
CID 6734416
2-(4-methoxyphenyl)-N-[[3-[[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]methyl]phenyl]methyl]quinoline-4-carboxamide
CID 5101494
1-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]-3-pentylthiourea
CID 9220474
N-[(2S)-1-[2-[2-(3,4-dimethoxyphenyl)quinoline-4-carbonyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]acetamide
CID 52507937

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N'-(2-methylpropanoyl)quinoline-4-carbohydrazide?
The IUPAC name of 2-(4-methoxyphenyl)-N'-(2-methylpropanoyl)quinoline-4-carbohydrazide (CID 24542943) is 2-(4-methoxyphenyl)-N'-(2-methylpropanoyl)quinoline-4-carbohydrazide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N'-(2-methylpropanoyl)quinoline-4-carbohydrazide?
The canonical SMILES for 2-(4-methoxyphenyl)-N'-(2-methylpropanoyl)quinoline-4-carbohydrazide is COc1ccc(-c2cc(C(=O)NNC(=O)C(C)C)c3ccccc3n2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N'-(2-methylpropanoyl)quinoline-4-carbohydrazide?
The InChIKey is BCKRFCGTDIMICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-13(2)20(25)23-24-21(26)17-12-19(14-8-10-15(27-3)11-9-14)22-18-7-5-4-6-16(17)18/h4-13H,1-3H3,(H,23,25)(H,24,26).
What are the key properties of 2-(4-methoxyphenyl)-N'-(2-methylpropanoyl)quinoline-4-carbohydrazide?
2-(4-methoxyphenyl)-N'-(2-methylpropanoyl)quinoline-4-carbohydrazide has a molecular weight of 363.42 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N'-(2-methylpropanoyl)quinoline-4-carbohydrazide is sourced from PubChem (CID 24542943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).