2-(2,5-dichlorophenyl)-5-(4-methoxyphenyl)-6-methylpyridazin-3-one

C18H14Cl2N2O2 — CID 23818641

IUPAC2-(2,5-dichlorophenyl)-5-(4-methoxyphenyl)-6-methylpyridazin-3-one
SMILESCOc1ccc(-c2cc(=O)n(-c3cc(Cl)ccc3Cl)nc2C)cc1
InChIInChI=1S/C18H14Cl2N2O2/c1-11-15(12-3-6-14(24-2)7-4-12)10-18(23)22(21-11)17-9-13(19)5-8-16(17)20/h3-10H,1-2H3
InChIKeyQWHDYWLCQUBQAZ-UHFFFAOYSA-N
MW361.23 g/mol
LogP4.52
Rot. Bonds3

About 2-(2,5-dichlorophenyl)-5-(4-methoxyphenyl)-6-methylpyridazin-3-one

2-(2,5-dichlorophenyl)-5-(4-methoxyphenyl)-6-methylpyridazin-3-one (PubChem CID 23818641) has the molecular formula C18H14Cl2N2O2 and a molecular weight of 361.23 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)-5-(4-methoxyphenyl)-6-methylpyridazin-3-one.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)-5-(4-methoxyphenyl)-6-methylpyridazin-3-one
PubChem CID23818641
Molecular FormulaC18H14Cl2N2O2
Molecular Weight361.23 g/mol
Exact Mass360.04
IUPAC Name2-(2,5-dichlorophenyl)-5-(4-methoxyphenyl)-6-methylpyridazin-3-one
SMILESCOc1ccc(-c2cc(=O)n(-c3cc(Cl)ccc3Cl)nc2C)cc1
InChIInChI=1S/C18H14Cl2N2O2/c1-11-15(12-3-6-14(24-2)7-4-12)10-18(23)22(21-11)17-9-13(19)5-8-16(17)20/h3-10H,1-2H3
InChIKeyQWHDYWLCQUBQAZ-UHFFFAOYSA-N
XLogP4.52
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.23
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-chloro-5-methoxyphenyl)-1H-tetrazol-5-one
CID 136670083
1-(2,5-dichlorophenyl)-3-(4-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 3521566
5-chloro-2-(4-methoxyphenyl)benzaldehyde
CID 66159684
2-[(Z)-2-(4-chlorophenyl)ethenyl]-5,6-bis(4-methoxyphenyl)pyridazin-3-one
CID 10225498
4-(4-chlorophenyl)-1,6-dimethoxyquinolin-2-one
CID 135058824
3-(2-amino-5-methoxyphenyl)-2-(2,5-dichlorophenyl)-5-methylimidazol-4-amine
CID 143988961
1-(2-chloro-5-methoxyphenyl)sulfonyl-4-(2,5-dichlorophenyl)piperazine
CID 1178550
4-chloro-3-(4-methoxyphenyl)benzaldehyde
CID 22391389
2-(2,5-dichlorophenyl)-4-methyl-5-phenyl-1,2,4-triazol-3-one
CID 18385345
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methoxy-3-methylpyrazole
CID 66839207
1-(2,5-dichlorophenyl)-3,5-dimethylpyrazole-4-carbonitrile
CID 39365306
3-[3-chloro-4-(4,5-dimethyltriazol-2-yl)phenyl]-7-methoxychromen-2-one
CID 21395783

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)-5-(4-methoxyphenyl)-6-methylpyridazin-3-one?
The IUPAC name of 2-(2,5-dichlorophenyl)-5-(4-methoxyphenyl)-6-methylpyridazin-3-one (CID 23818641) is 2-(2,5-dichlorophenyl)-5-(4-methoxyphenyl)-6-methylpyridazin-3-one.
What is the SMILES notation for 2-(2,5-dichlorophenyl)-5-(4-methoxyphenyl)-6-methylpyridazin-3-one?
The canonical SMILES for 2-(2,5-dichlorophenyl)-5-(4-methoxyphenyl)-6-methylpyridazin-3-one is COc1ccc(-c2cc(=O)n(-c3cc(Cl)ccc3Cl)nc2C)cc1.
What is the InChIKey of 2-(2,5-dichlorophenyl)-5-(4-methoxyphenyl)-6-methylpyridazin-3-one?
The InChIKey is QWHDYWLCQUBQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N2O2/c1-11-15(12-3-6-14(24-2)7-4-12)10-18(23)22(21-11)17-9-13(19)5-8-16(17)20/h3-10H,1-2H3.
What are the key properties of 2-(2,5-dichlorophenyl)-5-(4-methoxyphenyl)-6-methylpyridazin-3-one?
2-(2,5-dichlorophenyl)-5-(4-methoxyphenyl)-6-methylpyridazin-3-one has a molecular weight of 361.23 g/mol, XLogP of 4.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)-5-(4-methoxyphenyl)-6-methylpyridazin-3-one is sourced from PubChem (CID 23818641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).