2-[(3-methoxyphenyl)methyl]-6-methyl-4-(2-phenylethenyl)-5-(2-phenylmethoxyphenyl)pyridazin-3-one

C34H30N2O3 — CID 69398374

IUPAC2-[(3-methoxyphenyl)methyl]-6-methyl-4-(2-phenylethenyl)-5-(2-phenylmethoxyphenyl)pyridazin-3-one
SMILESCOc1cccc(Cn2nc(C)c(-c3ccccc3OCc3ccccc3)c(C=Cc3ccccc3)c2=O)c1
InChIInChI=1S/C34H30N2O3/c1-25-33(30-18-9-10-19-32(30)39-24-27-14-7-4-8-15-27)31(21-20-26-12-5-3-6-13-26)34(37)36(35-25)23-28-16-11-17-29(22-28)38-2/h3-22H,23-24H2,1-2H3
InChIKeyOKLZLAXDNBMSSD-UHFFFAOYSA-N
MW514.63 g/mol
LogP7.03
Rot. Bonds9

About 2-[(3-methoxyphenyl)methyl]-6-methyl-4-(2-phenylethenyl)-5-(2-phenylmethoxyphenyl)pyridazin-3-one

2-[(3-methoxyphenyl)methyl]-6-methyl-4-(2-phenylethenyl)-5-(2-phenylmethoxyphenyl)pyridazin-3-one (PubChem CID 69398374) has the molecular formula C34H30N2O3 and a molecular weight of 514.63 g/mol. Its IUPAC name is 2-[(3-methoxyphenyl)methyl]-6-methyl-4-(2-phenylethenyl)-5-(2-phenylmethoxyphenyl)pyridazin-3-one.

Molecular Properties

Compound Name2-[(3-methoxyphenyl)methyl]-6-methyl-4-(2-phenylethenyl)-5-(2-phenylmethoxyphenyl)pyridazin-3-one
PubChem CID69398374
Molecular FormulaC34H30N2O3
Molecular Weight514.63 g/mol
Exact Mass514.23
IUPAC Name2-[(3-methoxyphenyl)methyl]-6-methyl-4-(2-phenylethenyl)-5-(2-phenylmethoxyphenyl)pyridazin-3-one
SMILESCOc1cccc(Cn2nc(C)c(-c3ccccc3OCc3ccccc3)c(C=Cc3ccccc3)c2=O)c1
InChIInChI=1S/C34H30N2O3/c1-25-33(30-18-9-10-19-32(30)39-24-27-14-7-4-8-15-27)31(21-20-26-12-5-3-6-13-26)34(37)36(35-25)23-28-16-11-17-29(22-28)38-2/h3-22H,23-24H2,1-2H3
InChIKeyOKLZLAXDNBMSSD-UHFFFAOYSA-N
XLogP7.03
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.63
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(3,4-difluorophenyl)ethenyl]-6-methyl-2-(2-phenylethyl)-5-(2-phenylmethoxyphenyl)pyridazin-3-one
CID 69398271
6-methyl-4-[(E)-2-phenylethenyl]-2-(1-phenylethyl)-5-(2-phenylmethoxyphenyl)pyridazin-3-one
CID 69398386
2-[(3,5-dimethoxyphenyl)methyl]-4-[2-(3-fluorophenyl)ethyl]-6-methyl-5-(2-phenylmethoxyphenyl)pyridazin-3-one
CID 69398015
2-[1-(1,3-dioxol-4-yl)-2-phenylethyl]-4-[2-(3-fluorophenyl)ethenyl]-6-methyl-5-(2-phenylmethoxyphenyl)pyridazin-3-one
CID 69398978
5-[2-(3,4-difluorophenyl)ethenyl]-3-methyl-4-(2-phenylmethoxyphenyl)-1H-pyridazin-6-one
CID 69398992
3-[5-chloro-1-[(3-methoxyphenyl)methyl]-3-methylpyrazol-4-yl]prop-2-enoic acid
CID 3695957
2-[[3-(dimethylamino)phenyl]methyl]-5-(2-methoxyphenyl)-6-methyl-4-[2-(3-methylphenyl)ethyl]pyridazin-3-one
CID 143443212
1-methoxy-3-[(2-methylphenoxy)methyl]benzene
CID 59416569
2-(2,1,3-benzothiadiazol-4-ylmethyl)-4-[2-(3-fluorophenyl)ethyl]-6-methyl-5-(2-phenylmethoxyphenyl)pyridazin-3-one
CID 69399319
2-(4-methoxyphenyl)-6-phenylmethoxybenzaldehyde
CID 172993953
N-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]-2,4-dimethoxybenzenesulfonamide
CID 22203103
2-[2-[(3-methoxyphenyl)methoxy]phenyl]-3H-quinazolin-4-one
CID 168551873

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyphenyl)methyl]-6-methyl-4-(2-phenylethenyl)-5-(2-phenylmethoxyphenyl)pyridazin-3-one?
The IUPAC name of 2-[(3-methoxyphenyl)methyl]-6-methyl-4-(2-phenylethenyl)-5-(2-phenylmethoxyphenyl)pyridazin-3-one (CID 69398374) is 2-[(3-methoxyphenyl)methyl]-6-methyl-4-(2-phenylethenyl)-5-(2-phenylmethoxyphenyl)pyridazin-3-one.
What is the SMILES notation for 2-[(3-methoxyphenyl)methyl]-6-methyl-4-(2-phenylethenyl)-5-(2-phenylmethoxyphenyl)pyridazin-3-one?
The canonical SMILES for 2-[(3-methoxyphenyl)methyl]-6-methyl-4-(2-phenylethenyl)-5-(2-phenylmethoxyphenyl)pyridazin-3-one is COc1cccc(Cn2nc(C)c(-c3ccccc3OCc3ccccc3)c(C=Cc3ccccc3)c2=O)c1.
What is the InChIKey of 2-[(3-methoxyphenyl)methyl]-6-methyl-4-(2-phenylethenyl)-5-(2-phenylmethoxyphenyl)pyridazin-3-one?
The InChIKey is OKLZLAXDNBMSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30N2O3/c1-25-33(30-18-9-10-19-32(30)39-24-27-14-7-4-8-15-27)31(21-20-26-12-5-3-6-13-26)34(37)36(35-25)23-28-16-11-17-29(22-28)38-2/h3-22H,23-24H2,1-2H3.
What are the key properties of 2-[(3-methoxyphenyl)methyl]-6-methyl-4-(2-phenylethenyl)-5-(2-phenylmethoxyphenyl)pyridazin-3-one?
2-[(3-methoxyphenyl)methyl]-6-methyl-4-(2-phenylethenyl)-5-(2-phenylmethoxyphenyl)pyridazin-3-one has a molecular weight of 514.63 g/mol, XLogP of 7.03, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyphenyl)methyl]-6-methyl-4-(2-phenylethenyl)-5-(2-phenylmethoxyphenyl)pyridazin-3-one is sourced from PubChem (CID 69398374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).