4-chloro-5-(N-ethyl-3-methylanilino)-2-phenylpyridazin-3-one

C19H18ClN3O — CID 50876167

IUPAC4-chloro-5-(N-ethyl-3-methylanilino)-2-phenylpyridazin-3-one
SMILESCCN(c1cccc(C)c1)c1cnn(-c2ccccc2)c(=O)c1Cl
InChIInChI=1S/C19H18ClN3O/c1-3-22(16-11-7-8-14(2)12-16)17-13-21-23(19(24)18(17)20)15-9-5-4-6-10-15/h4-13H,3H2,1-2H3
InChIKeyNVAFQEUOAVSKBU-UHFFFAOYSA-N
MW339.83 g/mol
LogP4.35
Rot. Bonds4

About 4-chloro-5-(N-ethyl-3-methylanilino)-2-phenylpyridazin-3-one

4-chloro-5-(N-ethyl-3-methylanilino)-2-phenylpyridazin-3-one (PubChem CID 50876167) has the molecular formula C19H18ClN3O and a molecular weight of 339.83 g/mol. Its IUPAC name is 4-chloro-5-(N-ethyl-3-methylanilino)-2-phenylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-(N-ethyl-3-methylanilino)-2-phenylpyridazin-3-one
PubChem CID50876167
Molecular FormulaC19H18ClN3O
Molecular Weight339.83 g/mol
Exact Mass339.11
IUPAC Name4-chloro-5-(N-ethyl-3-methylanilino)-2-phenylpyridazin-3-one
SMILESCCN(c1cccc(C)c1)c1cnn(-c2ccccc2)c(=O)c1Cl
InChIInChI=1S/C19H18ClN3O/c1-3-22(16-11-7-8-14(2)12-16)17-13-21-23(19(24)18(17)20)15-9-5-4-6-10-15/h4-13H,3H2,1-2H3
InChIKeyNVAFQEUOAVSKBU-UHFFFAOYSA-N
XLogP4.35
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.83
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-5-(diethylamino)-2-(3-methylphenyl)pyridazin-3-one
CID 24997707
4-chloro-5-methyl-2-(3-methylphenyl)pyridazin-3-one
CID 126527319
4-chloro-5-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-phenylpyridazin-3-one
CID 9195137
ethane;N-ethyl-2-methyl-N-(3-methylphenyl)aniline
CID 142266780
4-chloro-5-[4-(3-methylbenzoyl)piperazin-1-yl]-2-phenylpyridazin-3-one
CID 26664762
3-chloro-N'-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)-N',2,2-trimethylpropanehydrazide
CID 2774918
4-methyl-6-[(3-methylphenyl)methyl]-1-phenylpyrazolo[4,5-d]pyridazin-7-one
CID 16846174
4-chloro-5-[methyl-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]-2-phenylpyridazin-3-one
CID 9172446
2-(bromomethyl)-N-ethyl-N-(3-methylphenyl)aniline
CID 107080798
4-chloro-2-(chloromethyl)-N-ethyl-N-(3-methylphenyl)aniline
CID 114846438
3-(aminomethyl)-N-ethyl-2,6-dimethyl-N-(3-methylphenyl)pyridin-4-amine
CID 81050456
2-chloro-4-N-ethyl-5-methyl-4-N-(3-methylphenyl)benzene-1,4-diamine
CID 115554643

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(N-ethyl-3-methylanilino)-2-phenylpyridazin-3-one?
The IUPAC name of 4-chloro-5-(N-ethyl-3-methylanilino)-2-phenylpyridazin-3-one (CID 50876167) is 4-chloro-5-(N-ethyl-3-methylanilino)-2-phenylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-(N-ethyl-3-methylanilino)-2-phenylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-(N-ethyl-3-methylanilino)-2-phenylpyridazin-3-one is CCN(c1cccc(C)c1)c1cnn(-c2ccccc2)c(=O)c1Cl.
What is the InChIKey of 4-chloro-5-(N-ethyl-3-methylanilino)-2-phenylpyridazin-3-one?
The InChIKey is NVAFQEUOAVSKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O/c1-3-22(16-11-7-8-14(2)12-16)17-13-21-23(19(24)18(17)20)15-9-5-4-6-10-15/h4-13H,3H2,1-2H3.
What are the key properties of 4-chloro-5-(N-ethyl-3-methylanilino)-2-phenylpyridazin-3-one?
4-chloro-5-(N-ethyl-3-methylanilino)-2-phenylpyridazin-3-one has a molecular weight of 339.83 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(N-ethyl-3-methylanilino)-2-phenylpyridazin-3-one is sourced from PubChem (CID 50876167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).