N'-(6-oxo-1-phenyl-4,5-dihydropyridazine-3-carbonyl)-2-phenylquinoline-4-carbohydrazide

C27H21N5O3 — CID 23474473

IUPACN'-(6-oxo-1-phenyl-4,5-dihydropyridazine-3-carbonyl)-2-phenylquinoline-4-carbohydrazide
SMILESO=C(NNC(=O)c1cc(-c2ccccc2)nc2ccccc12)C1=NN(c2ccccc2)C(=O)CC1
InChIInChI=1S/C27H21N5O3/c33-25-16-15-23(31-32(25)19-11-5-2-6-12-19)27(35)30-29-26(34)21-17-24(18-9-3-1-4-10-18)28-22-14-8-7-13-20(21)22/h1-14,17H,15-16H2,(H,29,34)(H,30,35)
InChIKeyQUHSBLIYZZZPFG-UHFFFAOYSA-N
MW463.50 g/mol
LogP3.85
Rot. Bonds4

About N'-(6-oxo-1-phenyl-4,5-dihydropyridazine-3-carbonyl)-2-phenylquinoline-4-carbohydrazide

N'-(6-oxo-1-phenyl-4,5-dihydropyridazine-3-carbonyl)-2-phenylquinoline-4-carbohydrazide (PubChem CID 23474473) has the molecular formula C27H21N5O3 and a molecular weight of 463.50 g/mol. Its IUPAC name is N'-(6-oxo-1-phenyl-4,5-dihydropyridazine-3-carbonyl)-2-phenylquinoline-4-carbohydrazide.

Molecular Properties

Compound NameN'-(6-oxo-1-phenyl-4,5-dihydropyridazine-3-carbonyl)-2-phenylquinoline-4-carbohydrazide
PubChem CID23474473
Molecular FormulaC27H21N5O3
Molecular Weight463.50 g/mol
Exact Mass463.16
IUPAC NameN'-(6-oxo-1-phenyl-4,5-dihydropyridazine-3-carbonyl)-2-phenylquinoline-4-carbohydrazide
SMILESO=C(NNC(=O)c1cc(-c2ccccc2)nc2ccccc12)C1=NN(c2ccccc2)C(=O)CC1
InChIInChI=1S/C27H21N5O3/c33-25-16-15-23(31-32(25)19-11-5-2-6-12-19)27(35)30-29-26(34)21-17-24(18-9-3-1-4-10-18)28-22-14-8-7-13-20(21)22/h1-14,17H,15-16H2,(H,29,34)(H,30,35)
InChIKeyQUHSBLIYZZZPFG-UHFFFAOYSA-N
XLogP3.85
TPSA103.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.50
LogP ≤ 53.85
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

1-phenyl-3-[(2-phenylquinoline-4-carbonyl)amino]thiourea
CID 1354577
N'-(2-methoxybenzoyl)-2-phenylquinoline-4-carbohydrazide
CID 6734416
2-phenyl-N'-(thiophene-2-carbonyl)quinoline-4-carbohydrazide
CID 7600821
1-cyclohexyl-3-[(2-phenylquinoline-4-carbonyl)amino]urea
CID 3285527
N'-(3-ethyl-4-oxoquinazolin-2-yl)-2-phenylquinoline-4-carbohydrazide
CID 24598204
4-QUINOLINECARBOXYLIC ACID, 2-PHENYL-, SODIUM SALT (1:1)
CID 167996008
europium;2-phenylquinoline-4-carboxylic acid
CID 87730786
1-(4-chlorophenyl)-3-[(2-phenylquinoline-4-carbonyl)amino]thiourea
CID 3005269
N'-(3-phenyl-1H-pyrazole-5-carbonyl)-2-pyridin-3-ylquinoline-4-carbohydrazide
CID 27689112
N'-(4-nitrobenzoyl)-2-phenylquinoline-4-carbohydrazide
CID 3126530
N-[(2S)-2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]-2-phenylquinoline-4-carboxamide
CID 95787883
bis(cyclopentane);bis(2-phenylquinoline-4-carboxylic acid);titanium(2+)
CID 135850214

Frequently Asked Questions

What is the IUPAC name of N'-(6-oxo-1-phenyl-4,5-dihydropyridazine-3-carbonyl)-2-phenylquinoline-4-carbohydrazide?
The IUPAC name of N'-(6-oxo-1-phenyl-4,5-dihydropyridazine-3-carbonyl)-2-phenylquinoline-4-carbohydrazide (CID 23474473) is N'-(6-oxo-1-phenyl-4,5-dihydropyridazine-3-carbonyl)-2-phenylquinoline-4-carbohydrazide.
What is the SMILES notation for N'-(6-oxo-1-phenyl-4,5-dihydropyridazine-3-carbonyl)-2-phenylquinoline-4-carbohydrazide?
The canonical SMILES for N'-(6-oxo-1-phenyl-4,5-dihydropyridazine-3-carbonyl)-2-phenylquinoline-4-carbohydrazide is O=C(NNC(=O)c1cc(-c2ccccc2)nc2ccccc12)C1=NN(c2ccccc2)C(=O)CC1.
What is the InChIKey of N'-(6-oxo-1-phenyl-4,5-dihydropyridazine-3-carbonyl)-2-phenylquinoline-4-carbohydrazide?
The InChIKey is QUHSBLIYZZZPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N5O3/c33-25-16-15-23(31-32(25)19-11-5-2-6-12-19)27(35)30-29-26(34)21-17-24(18-9-3-1-4-10-18)28-22-14-8-7-13-20(21)22/h1-14,17H,15-16H2,(H,29,34)(H,30,35).
What are the key properties of N'-(6-oxo-1-phenyl-4,5-dihydropyridazine-3-carbonyl)-2-phenylquinoline-4-carbohydrazide?
N'-(6-oxo-1-phenyl-4,5-dihydropyridazine-3-carbonyl)-2-phenylquinoline-4-carbohydrazide has a molecular weight of 463.50 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-oxo-1-phenyl-4,5-dihydropyridazine-3-carbonyl)-2-phenylquinoline-4-carbohydrazide is sourced from PubChem (CID 23474473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).