5-chloro-4-[(3,4-diethoxyphenyl)methoxy]-2-(4-methylphenyl)pyridazin-3-one

C22H23ClN2O4 — CID 45382319

IUPAC5-chloro-4-[(3,4-diethoxyphenyl)methoxy]-2-(4-methylphenyl)pyridazin-3-one
SMILESCCOc1ccc(COc2c(Cl)cnn(-c3ccc(C)cc3)c2=O)cc1OCC
InChIInChI=1S/C22H23ClN2O4/c1-4-27-19-11-8-16(12-20(19)28-5-2)14-29-21-18(23)13-24-25(22(21)26)17-9-6-15(3)7-10-17/h6-13H,4-5,14H2,1-3H3
InChIKeyFTIHCAKXNQBAPH-UHFFFAOYSA-N
MW414.89 g/mol
LogP4.57
Rot. Bonds8

About 5-chloro-4-[(3,4-diethoxyphenyl)methoxy]-2-(4-methylphenyl)pyridazin-3-one

5-chloro-4-[(3,4-diethoxyphenyl)methoxy]-2-(4-methylphenyl)pyridazin-3-one (PubChem CID 45382319) has the molecular formula C22H23ClN2O4 and a molecular weight of 414.89 g/mol. Its IUPAC name is 5-chloro-4-[(3,4-diethoxyphenyl)methoxy]-2-(4-methylphenyl)pyridazin-3-one.

Molecular Properties

Compound Name5-chloro-4-[(3,4-diethoxyphenyl)methoxy]-2-(4-methylphenyl)pyridazin-3-one
PubChem CID45382319
Molecular FormulaC22H23ClN2O4
Molecular Weight414.89 g/mol
Exact Mass414.13
IUPAC Name5-chloro-4-[(3,4-diethoxyphenyl)methoxy]-2-(4-methylphenyl)pyridazin-3-one
SMILESCCOc1ccc(COc2c(Cl)cnn(-c3ccc(C)cc3)c2=O)cc1OCC
InChIInChI=1S/C22H23ClN2O4/c1-4-27-19-11-8-16(12-20(19)28-5-2)14-29-21-18(23)13-24-25(22(21)26)17-9-6-15(3)7-10-17/h6-13H,4-5,14H2,1-3H3
InChIKeyFTIHCAKXNQBAPH-UHFFFAOYSA-N
XLogP4.57
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.89
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-bromo-5-ethoxy-2-(4-methylphenyl)pyridazin-3-one
CID 1487499
5-chloro-4-(4-methoxyphenoxy)-2-(4-methylphenyl)pyridazin-3-one
CID 1479652
1,2-dichloro-4-[[4-(chloromethyl)-2-ethoxyphenoxy]methyl]benzene
CID 29009783
5-[4-(1H-benzimidazol-2-yl)-2-ethoxyphenoxy]-4-chloro-2-(4-methylphenyl)pyridazin-3-one
CID 168555174
2-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]acetic acid
CID 7139432
[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl-[(4-methylphenyl)methyl]azanium
CID 8635379
(5E)-5-[[4-[(3,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126239826
5-chloro-4-(4-methoxyphenoxy)-2-(4-methoxyphenyl)pyridazin-3-one
CID 50904469
4-chloro-5-[(2Z)-2-[(3,4-diethoxyphenyl)methylidene]hydrazinyl]-2-(4-methoxyphenyl)pyridazin-3-one
CID 110512634
2-chloro-5-ethoxy-4-[(4-methylphenyl)methoxy]benzaldehyde
CID 66528914
(4R)-4-(3-ethoxy-4-propoxyphenyl)-1-(4-methylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136833529
1-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]-N-methylmethanamine;hydrochloride
CID 6471417

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(3,4-diethoxyphenyl)methoxy]-2-(4-methylphenyl)pyridazin-3-one?
The IUPAC name of 5-chloro-4-[(3,4-diethoxyphenyl)methoxy]-2-(4-methylphenyl)pyridazin-3-one (CID 45382319) is 5-chloro-4-[(3,4-diethoxyphenyl)methoxy]-2-(4-methylphenyl)pyridazin-3-one.
What is the SMILES notation for 5-chloro-4-[(3,4-diethoxyphenyl)methoxy]-2-(4-methylphenyl)pyridazin-3-one?
The canonical SMILES for 5-chloro-4-[(3,4-diethoxyphenyl)methoxy]-2-(4-methylphenyl)pyridazin-3-one is CCOc1ccc(COc2c(Cl)cnn(-c3ccc(C)cc3)c2=O)cc1OCC.
What is the InChIKey of 5-chloro-4-[(3,4-diethoxyphenyl)methoxy]-2-(4-methylphenyl)pyridazin-3-one?
The InChIKey is FTIHCAKXNQBAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O4/c1-4-27-19-11-8-16(12-20(19)28-5-2)14-29-21-18(23)13-24-25(22(21)26)17-9-6-15(3)7-10-17/h6-13H,4-5,14H2,1-3H3.
What are the key properties of 5-chloro-4-[(3,4-diethoxyphenyl)methoxy]-2-(4-methylphenyl)pyridazin-3-one?
5-chloro-4-[(3,4-diethoxyphenyl)methoxy]-2-(4-methylphenyl)pyridazin-3-one has a molecular weight of 414.89 g/mol, XLogP of 4.57, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(3,4-diethoxyphenyl)methoxy]-2-(4-methylphenyl)pyridazin-3-one is sourced from PubChem (CID 45382319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).