2-(4-methylphenyl)-N'-(oxolane-2-carbonyl)quinoline-4-carbohydrazide

C22H21N3O3 — CID 43005524

IUPAC2-(4-methylphenyl)-N'-(oxolane-2-carbonyl)quinoline-4-carbohydrazide
SMILESCc1ccc(-c2cc(C(=O)NNC(=O)C3CCCO3)c3ccccc3n2)cc1
InChIInChI=1S/C22H21N3O3/c1-14-8-10-15(11-9-14)19-13-17(16-5-2-3-6-18(16)23-19)21(26)24-25-22(27)20-7-4-12-28-20/h2-3,5-6,8-11,13,20H,4,7,12H2,1H3,(H,24,26)(H,25,27)
InChIKeyCAMUUTMMYMQDBS-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.15
Rot. Bonds3

About 2-(4-methylphenyl)-N'-(oxolane-2-carbonyl)quinoline-4-carbohydrazide

2-(4-methylphenyl)-N'-(oxolane-2-carbonyl)quinoline-4-carbohydrazide (PubChem CID 43005524) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is 2-(4-methylphenyl)-N'-(oxolane-2-carbonyl)quinoline-4-carbohydrazide.

Molecular Properties

Compound Name2-(4-methylphenyl)-N'-(oxolane-2-carbonyl)quinoline-4-carbohydrazide
PubChem CID43005524
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name2-(4-methylphenyl)-N'-(oxolane-2-carbonyl)quinoline-4-carbohydrazide
SMILESCc1ccc(-c2cc(C(=O)NNC(=O)C3CCCO3)c3ccccc3n2)cc1
InChIInChI=1S/C22H21N3O3/c1-14-8-10-15(11-9-14)19-13-17(16-5-2-3-6-18(16)23-19)21(26)24-25-22(27)20-7-4-12-28-20/h2-3,5-6,8-11,13,20H,4,7,12H2,1H3,(H,24,26)(H,25,27)
InChIKeyCAMUUTMMYMQDBS-UHFFFAOYSA-N
XLogP3.15
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.15
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-fluorophenyl)-N'-[(2R)-oxolane-2-carbonyl]quinoline-4-carbohydrazide
CID 51922809
2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide
CID 3414776
2-(4-chlorophenyl)-N'-(2-methylcyclopropanecarbonyl)quinoline-4-carbohydrazide
CID 24540320
2-(4-methylphenyl)-N'-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)quinoline-4-carbohydrazide
CID 55508001
1-cyclohexyl-3-[(2-phenylquinoline-4-carbonyl)amino]urea
CID 3285527
2-(4-methoxyphenyl)-N-[(2R)-oxan-2-yl]oxyquinoline-4-carboxamide
CID 52829074
N'-(3-methylbenzoyl)oxolane-2-carbohydrazide
CID 3128422
N-[2,2-dimethyl-3-[[2-(4-methylphenyl)quinoline-4-carbonyl]amino]propyl]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 2334871
N'-(2-methoxybenzoyl)-2-phenylquinoline-4-carbohydrazide
CID 6734416
2-(2,4-dimethylphenyl)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide
CID 2886977
N'-(2,5-dimethylfuran-3-carbonyl)-2-(4-methoxyphenyl)quinoline-4-carbohydrazide
CID 9468216
2-(2-methylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide
CID 25272573

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-N'-(oxolane-2-carbonyl)quinoline-4-carbohydrazide?
The IUPAC name of 2-(4-methylphenyl)-N'-(oxolane-2-carbonyl)quinoline-4-carbohydrazide (CID 43005524) is 2-(4-methylphenyl)-N'-(oxolane-2-carbonyl)quinoline-4-carbohydrazide.
What is the SMILES notation for 2-(4-methylphenyl)-N'-(oxolane-2-carbonyl)quinoline-4-carbohydrazide?
The canonical SMILES for 2-(4-methylphenyl)-N'-(oxolane-2-carbonyl)quinoline-4-carbohydrazide is Cc1ccc(-c2cc(C(=O)NNC(=O)C3CCCO3)c3ccccc3n2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-N'-(oxolane-2-carbonyl)quinoline-4-carbohydrazide?
The InChIKey is CAMUUTMMYMQDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-14-8-10-15(11-9-14)19-13-17(16-5-2-3-6-18(16)23-19)21(26)24-25-22(27)20-7-4-12-28-20/h2-3,5-6,8-11,13,20H,4,7,12H2,1H3,(H,24,26)(H,25,27).
What are the key properties of 2-(4-methylphenyl)-N'-(oxolane-2-carbonyl)quinoline-4-carbohydrazide?
2-(4-methylphenyl)-N'-(oxolane-2-carbonyl)quinoline-4-carbohydrazide has a molecular weight of 375.43 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-N'-(oxolane-2-carbonyl)quinoline-4-carbohydrazide is sourced from PubChem (CID 43005524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).