[(4Z)-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-pyridazin-4-ylmethanone

C14H12N4O2 — CID 104670605

IUPAC[(4Z)-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-pyridazin-4-ylmethanone
SMILESO=C(c1ccnnc1)N1CC/C(=N/O)c2ccccc21
InChIInChI=1S/C14H12N4O2/c19-14(10-5-7-15-16-9-10)18-8-6-12(17-20)11-3-1-2-4-13(11)18/h1-5,7,9,20H,6,8H2/b17-12-
InChIKeyQNWWNPYNOZZYMP-ATVHPVEESA-N
MW268.28 g/mol
LogP1.71
Rot. Bonds1

About [(4Z)-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-pyridazin-4-ylmethanone

[(4Z)-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-pyridazin-4-ylmethanone (PubChem CID 104670605) has the molecular formula C14H12N4O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is [(4Z)-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-pyridazin-4-ylmethanone.

Molecular Properties

Compound Name[(4Z)-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-pyridazin-4-ylmethanone
PubChem CID104670605
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC Name[(4Z)-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-pyridazin-4-ylmethanone
SMILESO=C(c1ccnnc1)N1CC/C(=N/O)c2ccccc21
InChIInChI=1S/C14H12N4O2/c19-14(10-5-7-15-16-9-10)18-8-6-12(17-20)11-3-1-2-4-13(11)18/h1-5,7,9,20H,6,8H2/b17-12-
InChIKeyQNWWNPYNOZZYMP-ATVHPVEESA-N
XLogP1.71
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [(4Z)-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-pyridazin-4-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-bromo-3-pyridinyl)-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)methanone
CID 77033598
(4-chlorophenyl)-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)methanone
CID 77033396
(3-chloro-4-pyridinyl)-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)methanone
CID 77115317
(1,5-dimethylpyrazol-4-yl)-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)methanone
CID 77033726
(4-hydroxyimino-2,3-dihydroquinolin-1-yl)-(5-methylfuran-2-yl)methanone
CID 77033785
(2,5-dimethylpyrazol-3-yl)-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)methanone
CID 77112212
(4-hydroxyimino-2,3-dihydroquinolin-1-yl)-(oxolan-3-yl)methanone
CID 77033492
4-hydroxyimino-N-phenyl-2,3-dihydroquinoline-1-carboxamide
CID 77033686
pyridazin-4-yl(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)methanone
CID 104671715
[(5Z)-5-hydroxyimino-3,4-dihydro-2H-1-benzazepin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 114337042
methyl (5Z)-5-hydroxyimino-3,4-dihydro-2H-1-benzazepine-1-carboxylate
CID 114337121
1-(pyridazine-4-carbonyl)-2,3-dihydroindole-5-carboxylic acid
CID 115909656

Frequently Asked Questions

What is the IUPAC name of [(4Z)-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-pyridazin-4-ylmethanone?
The IUPAC name of [(4Z)-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-pyridazin-4-ylmethanone (CID 104670605) is [(4Z)-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-pyridazin-4-ylmethanone.
What is the SMILES notation for [(4Z)-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-pyridazin-4-ylmethanone?
The canonical SMILES for [(4Z)-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-pyridazin-4-ylmethanone is O=C(c1ccnnc1)N1CC/C(=N/O)c2ccccc21.
What is the InChIKey of [(4Z)-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-pyridazin-4-ylmethanone?
The InChIKey is QNWWNPYNOZZYMP-ATVHPVEESA-N. The full InChI is InChI=1S/C14H12N4O2/c19-14(10-5-7-15-16-9-10)18-8-6-12(17-20)11-3-1-2-4-13(11)18/h1-5,7,9,20H,6,8H2/b17-12-.
What are the key properties of [(4Z)-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-pyridazin-4-ylmethanone?
[(4Z)-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-pyridazin-4-ylmethanone has a molecular weight of 268.28 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4Z)-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-pyridazin-4-ylmethanone is sourced from PubChem (CID 104670605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).