2-(4-methylphenyl)-N'-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)quinoline-4-carbohydrazide

C27H22N4O3 — CID 55508001

IUPAC2-(4-methylphenyl)-N'-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)quinoline-4-carbohydrazide
SMILESCc1ccc(-c2cc(C(=O)NNC(=O)C3CC(=O)Nc4ccccc43)c3ccccc3n2)cc1
InChIInChI=1S/C27H22N4O3/c1-16-10-12-17(13-11-16)24-14-20(18-6-2-4-8-22(18)28-24)26(33)30-31-27(34)21-15-25(32)29-23-9-5-3-7-19(21)23/h2-14,21H,15H2,1H3,(H,29,32)(H,30,33)(H,31,34)
InChIKeyMJOMTCJDXGHBJM-UHFFFAOYSA-N
MW450.50 g/mol
LogP4.10
Rot. Bonds3

About 2-(4-methylphenyl)-N'-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)quinoline-4-carbohydrazide

2-(4-methylphenyl)-N'-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)quinoline-4-carbohydrazide (PubChem CID 55508001) has the molecular formula C27H22N4O3 and a molecular weight of 450.50 g/mol. Its IUPAC name is 2-(4-methylphenyl)-N'-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)quinoline-4-carbohydrazide.

Molecular Properties

Compound Name2-(4-methylphenyl)-N'-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)quinoline-4-carbohydrazide
PubChem CID55508001
Molecular FormulaC27H22N4O3
Molecular Weight450.50 g/mol
Exact Mass450.17
IUPAC Name2-(4-methylphenyl)-N'-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)quinoline-4-carbohydrazide
SMILESCc1ccc(-c2cc(C(=O)NNC(=O)C3CC(=O)Nc4ccccc43)c3ccccc3n2)cc1
InChIInChI=1S/C27H22N4O3/c1-16-10-12-17(13-11-16)24-14-20(18-6-2-4-8-22(18)28-24)26(33)30-31-27(34)21-15-25(32)29-23-9-5-3-7-19(21)23/h2-14,21H,15H2,1H3,(H,29,32)(H,30,33)(H,31,34)
InChIKeyMJOMTCJDXGHBJM-UHFFFAOYSA-N
XLogP4.10
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.50
LogP ≤ 54.10
H-Bond Donors ≤ 53
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-methylphenyl)-N'-(oxolane-2-carbonyl)quinoline-4-carbohydrazide
CID 43005524
2-(4-chlorophenyl)-N'-(2-methylcyclopropanecarbonyl)quinoline-4-carbohydrazide
CID 24540320
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-(4-fluorophenyl)-N'-[(2R)-oxolane-2-carbonyl]quinoline-4-carbohydrazide
CID 51922809
2-(4-methylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinoline-4-carboxamide
CID 5045175
N-(cyclohexylideneamino)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 7933716
N-(4-acetamidophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 4863526
2-(4-methoxyphenyl)-N'-(2-methylpropanoyl)quinoline-4-carbohydrazide
CID 24542943
N'-(2,5-dimethylfuran-3-carbonyl)-2-(4-methoxyphenyl)quinoline-4-carbohydrazide
CID 9468216
N-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]-2-phenylquinoline-4-carboxamide
CID 17320376
2-(4-methylphenyl)-N-pyridin-2-ylquinoline-4-carboxamide
CID 868286

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-N'-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)quinoline-4-carbohydrazide?
The IUPAC name of 2-(4-methylphenyl)-N'-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)quinoline-4-carbohydrazide (CID 55508001) is 2-(4-methylphenyl)-N'-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)quinoline-4-carbohydrazide.
What is the SMILES notation for 2-(4-methylphenyl)-N'-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)quinoline-4-carbohydrazide?
The canonical SMILES for 2-(4-methylphenyl)-N'-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)quinoline-4-carbohydrazide is Cc1ccc(-c2cc(C(=O)NNC(=O)C3CC(=O)Nc4ccccc43)c3ccccc3n2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-N'-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)quinoline-4-carbohydrazide?
The InChIKey is MJOMTCJDXGHBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N4O3/c1-16-10-12-17(13-11-16)24-14-20(18-6-2-4-8-22(18)28-24)26(33)30-31-27(34)21-15-25(32)29-23-9-5-3-7-19(21)23/h2-14,21H,15H2,1H3,(H,29,32)(H,30,33)(H,31,34).
What are the key properties of 2-(4-methylphenyl)-N'-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)quinoline-4-carbohydrazide?
2-(4-methylphenyl)-N'-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)quinoline-4-carbohydrazide has a molecular weight of 450.50 g/mol, XLogP of 4.10, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-N'-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)quinoline-4-carbohydrazide is sourced from PubChem (CID 55508001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).