2-[(Z)-2-(4-chlorophenyl)ethenyl]-5,6-bis(4-methoxyphenyl)pyridazin-3-one

C26H21ClN2O3 — CID 10225498

IUPAC2-[(Z)-2-(4-chlorophenyl)ethenyl]-5,6-bis(4-methoxyphenyl)pyridazin-3-one
SMILESCOc1ccc(-c2cc(=O)n(/C=C\c3ccc(Cl)cc3)nc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C26H21ClN2O3/c1-31-22-11-5-19(6-12-22)24-17-25(30)29(16-15-18-3-9-21(27)10-4-18)28-26(24)20-7-13-23(32-2)14-8-20/h3-17H,1-2H3/b16-15-
InChIKeyKXUDURYBQKWMHC-NXVVXOECSA-N
MW444.92 g/mol
LogP5.88
Rot. Bonds6

About 2-[(Z)-2-(4-chlorophenyl)ethenyl]-5,6-bis(4-methoxyphenyl)pyridazin-3-one

2-[(Z)-2-(4-chlorophenyl)ethenyl]-5,6-bis(4-methoxyphenyl)pyridazin-3-one (PubChem CID 10225498) has the molecular formula C26H21ClN2O3 and a molecular weight of 444.92 g/mol. Its IUPAC name is 2-[(Z)-2-(4-chlorophenyl)ethenyl]-5,6-bis(4-methoxyphenyl)pyridazin-3-one.

Molecular Properties

Compound Name2-[(Z)-2-(4-chlorophenyl)ethenyl]-5,6-bis(4-methoxyphenyl)pyridazin-3-one
PubChem CID10225498
Molecular FormulaC26H21ClN2O3
Molecular Weight444.92 g/mol
Exact Mass444.12
IUPAC Name2-[(Z)-2-(4-chlorophenyl)ethenyl]-5,6-bis(4-methoxyphenyl)pyridazin-3-one
SMILESCOc1ccc(-c2cc(=O)n(/C=C\c3ccc(Cl)cc3)nc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C26H21ClN2O3/c1-31-22-11-5-19(6-12-22)24-17-25(30)29(16-15-18-3-9-21(27)10-4-18)28-26(24)20-7-13-23(32-2)14-8-20/h3-17H,1-2H3/b16-15-
InChIKeyKXUDURYBQKWMHC-NXVVXOECSA-N
XLogP5.88
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.92
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-methoxyphenyl)-2-methyl-5-phenylpyridazin-3-one
CID 59651906
5,6-bis(4-methoxyphenyl)-2-[(4-nitrophenyl)methyl]pyridazin-3-one
CID 18369357
5-(4-fluorophenyl)-2-[(4-methoxyphenyl)methyl]-6-(4-methylsulfanylphenyl)pyridazin-3-one
CID 18369387
2-(2,5-dichlorophenyl)-5-(4-methoxyphenyl)-6-methylpyridazin-3-one
CID 23818641
2-[(E)-3-(4-chlorophenyl)prop-2-enyl]-6-(4-methoxyphenyl)-3-oxopyridazine-4-carboxamide
CID 22452186
3-chloro-2,5,6-tris(4-methoxyphenyl)pyridine
CID 122233245
1-chloro-4-(4-methoxyphenyl)benzene
CID 612791
2-[(4-chlorophenyl)methyl]-6-(4-methoxyphenyl)-5-pyridin-4-ylpyridazine-3-thione
CID 18369440
2-(4-chloro-4-ethoxycyclohexa-1,5-dien-1-yl)-5,6-bis(4-methoxyphenyl)pyridazin-3-one
CID 66674085
1-(4-chlorophenyl)-8-methoxy-[1,2,5]oxadiazino[5,4-a]indol-4-one
CID 11551597
4-(4-chlorophenyl)-1,6-dimethoxyquinolin-2-one
CID 135058824
1-methoxy-4-[2-[4-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]phenyl]ethenyl]benzene
CID 54482883

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2-(4-chlorophenyl)ethenyl]-5,6-bis(4-methoxyphenyl)pyridazin-3-one?
The IUPAC name of 2-[(Z)-2-(4-chlorophenyl)ethenyl]-5,6-bis(4-methoxyphenyl)pyridazin-3-one (CID 10225498) is 2-[(Z)-2-(4-chlorophenyl)ethenyl]-5,6-bis(4-methoxyphenyl)pyridazin-3-one.
What is the SMILES notation for 2-[(Z)-2-(4-chlorophenyl)ethenyl]-5,6-bis(4-methoxyphenyl)pyridazin-3-one?
The canonical SMILES for 2-[(Z)-2-(4-chlorophenyl)ethenyl]-5,6-bis(4-methoxyphenyl)pyridazin-3-one is COc1ccc(-c2cc(=O)n(/C=C\c3ccc(Cl)cc3)nc2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 2-[(Z)-2-(4-chlorophenyl)ethenyl]-5,6-bis(4-methoxyphenyl)pyridazin-3-one?
The InChIKey is KXUDURYBQKWMHC-NXVVXOECSA-N. The full InChI is InChI=1S/C26H21ClN2O3/c1-31-22-11-5-19(6-12-22)24-17-25(30)29(16-15-18-3-9-21(27)10-4-18)28-26(24)20-7-13-23(32-2)14-8-20/h3-17H,1-2H3/b16-15-.
What are the key properties of 2-[(Z)-2-(4-chlorophenyl)ethenyl]-5,6-bis(4-methoxyphenyl)pyridazin-3-one?
2-[(Z)-2-(4-chlorophenyl)ethenyl]-5,6-bis(4-methoxyphenyl)pyridazin-3-one has a molecular weight of 444.92 g/mol, XLogP of 5.88, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2-(4-chlorophenyl)ethenyl]-5,6-bis(4-methoxyphenyl)pyridazin-3-one is sourced from PubChem (CID 10225498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).