4-amino-6-chloro-5-[(E)-2-ethoxyethenyl]-2-[(4-methoxyphenyl)methyl]pyridazin-3-one

C16H18ClN3O3 — CID 168896480

IUPAC4-amino-6-chloro-5-[(E)-2-ethoxyethenyl]-2-[(4-methoxyphenyl)methyl]pyridazin-3-one
SMILESCCO/C=C/c1c(Cl)nn(Cc2ccc(OC)cc2)c(=O)c1N
InChIInChI=1S/C16H18ClN3O3/c1-3-23-9-8-13-14(18)16(21)20(19-15(13)17)10-11-4-6-12(22-2)7-5-11/h4-9H,3,10,18H2,1-2H3/b9-8+
InChIKeyWAVRYKSNCXNLRO-CMDGGOBGSA-N
MW335.79 g/mol
LogP2.54
Rot. Bonds6

About 4-amino-6-chloro-5-[(E)-2-ethoxyethenyl]-2-[(4-methoxyphenyl)methyl]pyridazin-3-one

4-amino-6-chloro-5-[(E)-2-ethoxyethenyl]-2-[(4-methoxyphenyl)methyl]pyridazin-3-one (PubChem CID 168896480) has the molecular formula C16H18ClN3O3 and a molecular weight of 335.79 g/mol. Its IUPAC name is 4-amino-6-chloro-5-[(E)-2-ethoxyethenyl]-2-[(4-methoxyphenyl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name4-amino-6-chloro-5-[(E)-2-ethoxyethenyl]-2-[(4-methoxyphenyl)methyl]pyridazin-3-one
PubChem CID168896480
Molecular FormulaC16H18ClN3O3
Molecular Weight335.79 g/mol
Exact Mass335.10
IUPAC Name4-amino-6-chloro-5-[(E)-2-ethoxyethenyl]-2-[(4-methoxyphenyl)methyl]pyridazin-3-one
SMILESCCO/C=C/c1c(Cl)nn(Cc2ccc(OC)cc2)c(=O)c1N
InChIInChI=1S/C16H18ClN3O3/c1-3-23-9-8-13-14(18)16(21)20(19-15(13)17)10-11-4-6-12(22-2)7-5-11/h4-9H,3,10,18H2,1-2H3/b9-8+
InChIKeyWAVRYKSNCXNLRO-CMDGGOBGSA-N
XLogP2.54
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.79
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

4-amino-6-chloro-5-iodo-2-[(4-methoxyphenyl)methyl]pyridazin-3-one
CID 168896400
2-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-amine
CID 23377749
ethyl 1-benzyl-4-(2-ethoxyethenyl)-5-methoxypyrazole-3-carboxylate
CID 175092016
ethyl 3-[2-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-yl]iminobutanoate
CID 172783189
methyl 6-chloro-2-[(4-methoxyphenyl)methyl]-3-oxopyridazine-4-carboxylate
CID 171648200
4-amino-2-benzyl-6-chloro-5-iodopyridazin-3-one
CID 170737097
ethyl 5-amino-1-[(4-methoxyphenyl)methyl]imidazole-4-carboxylate
CID 12666140
4-(2,6-difluoro-4-iodophenoxy)-2-[(4-methoxyphenyl)methyl]-6-methylpyridazin-3-one
CID 138487436
2-[5-bromo-1-[(4-methoxyphenyl)methyl]-6-oxopyridazin-3-yl]ethanesulfonic acid
CID 86715219
6-(2,3-dichlorophenyl)-3-imino-2-[(4-methoxyphenyl)methyl]-1,2,4-triazin-5-amine
CID 24771439
4-(4-bromo-3-fluoro-2-methylphenoxy)-2-[(4-methoxyphenyl)methyl]-6-methylpyridazin-3-one
CID 138487517
ethyl 2-[3-ethenyl-5-[(4-methoxyphenyl)methyl]-4-oxopyrazolo[3,4-d]pyridazin-1-yl]acetate
CID 165393057

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-chloro-5-[(E)-2-ethoxyethenyl]-2-[(4-methoxyphenyl)methyl]pyridazin-3-one?
The IUPAC name of 4-amino-6-chloro-5-[(E)-2-ethoxyethenyl]-2-[(4-methoxyphenyl)methyl]pyridazin-3-one (CID 168896480) is 4-amino-6-chloro-5-[(E)-2-ethoxyethenyl]-2-[(4-methoxyphenyl)methyl]pyridazin-3-one.
What is the SMILES notation for 4-amino-6-chloro-5-[(E)-2-ethoxyethenyl]-2-[(4-methoxyphenyl)methyl]pyridazin-3-one?
The canonical SMILES for 4-amino-6-chloro-5-[(E)-2-ethoxyethenyl]-2-[(4-methoxyphenyl)methyl]pyridazin-3-one is CCO/C=C/c1c(Cl)nn(Cc2ccc(OC)cc2)c(=O)c1N.
What is the InChIKey of 4-amino-6-chloro-5-[(E)-2-ethoxyethenyl]-2-[(4-methoxyphenyl)methyl]pyridazin-3-one?
The InChIKey is WAVRYKSNCXNLRO-CMDGGOBGSA-N. The full InChI is InChI=1S/C16H18ClN3O3/c1-3-23-9-8-13-14(18)16(21)20(19-15(13)17)10-11-4-6-12(22-2)7-5-11/h4-9H,3,10,18H2,1-2H3/b9-8+.
What are the key properties of 4-amino-6-chloro-5-[(E)-2-ethoxyethenyl]-2-[(4-methoxyphenyl)methyl]pyridazin-3-one?
4-amino-6-chloro-5-[(E)-2-ethoxyethenyl]-2-[(4-methoxyphenyl)methyl]pyridazin-3-one has a molecular weight of 335.79 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-chloro-5-[(E)-2-ethoxyethenyl]-2-[(4-methoxyphenyl)methyl]pyridazin-3-one is sourced from PubChem (CID 168896480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).