2-(4-chlorophenyl)-5-(4-methoxyphenoxy)-4-[4-(pyrrolidine-1-carbonyl)anilino]pyridazin-3-one

C28H25ClN4O4 — CID 46000907

IUPAC2-(4-chlorophenyl)-5-(4-methoxyphenoxy)-4-[4-(pyrrolidine-1-carbonyl)anilino]pyridazin-3-one
SMILESCOc1ccc(Oc2cnn(-c3ccc(Cl)cc3)c(=O)c2Nc2ccc(C(=O)N3CCCC3)cc2)cc1
InChIInChI=1S/C28H25ClN4O4/c1-36-23-12-14-24(15-13-23)37-25-18-30-33(22-10-6-20(29)7-11-22)28(35)26(25)31-21-8-4-19(5-9-21)27(34)32-16-2-3-17-32/h4-15,18,31H,2-3,16-17H2,1H3
InChIKeyDDOVUVOISCMKMX-UHFFFAOYSA-N
MW516.99 g/mol
LogP5.67
Rot. Bonds7

About 2-(4-chlorophenyl)-5-(4-methoxyphenoxy)-4-[4-(pyrrolidine-1-carbonyl)anilino]pyridazin-3-one

2-(4-chlorophenyl)-5-(4-methoxyphenoxy)-4-[4-(pyrrolidine-1-carbonyl)anilino]pyridazin-3-one (PubChem CID 46000907) has the molecular formula C28H25ClN4O4 and a molecular weight of 516.99 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-(4-methoxyphenoxy)-4-[4-(pyrrolidine-1-carbonyl)anilino]pyridazin-3-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-(4-methoxyphenoxy)-4-[4-(pyrrolidine-1-carbonyl)anilino]pyridazin-3-one
PubChem CID46000907
Molecular FormulaC28H25ClN4O4
Molecular Weight516.99 g/mol
Exact Mass516.16
IUPAC Name2-(4-chlorophenyl)-5-(4-methoxyphenoxy)-4-[4-(pyrrolidine-1-carbonyl)anilino]pyridazin-3-one
SMILESCOc1ccc(Oc2cnn(-c3ccc(Cl)cc3)c(=O)c2Nc2ccc(C(=O)N3CCCC3)cc2)cc1
InChIInChI=1S/C28H25ClN4O4/c1-36-23-12-14-24(15-13-23)37-25-18-30-33(22-10-6-20(29)7-11-22)28(35)26(25)31-21-8-4-19(5-9-21)27(34)32-16-2-3-17-32/h4-15,18,31H,2-3,16-17H2,1H3
InChIKeyDDOVUVOISCMKMX-UHFFFAOYSA-N
XLogP5.67
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.99
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[3-(4-acetylpiperazine-1-carbonyl)anilino]-5-(4-chlorophenoxy)-2-(4-methoxyphenyl)pyridazin-3-one
CID 46147929
4-[[5-(4-chlorophenoxy)-2-(4-methoxyphenyl)-3-oxopyridazin-4-yl]amino]-N-ethylbenzamide
CID 42682100
5-(4-fluorophenoxy)-2-(4-fluorophenyl)-4-[4-(morpholine-4-carbonyl)anilino]pyridazin-3-one
CID 46006326
4-[[2-(4-chlorophenyl)-5-(4-methoxyphenoxy)-3-oxopyridazin-4-yl]amino]-N-(pyridin-4-ylmethyl)benzamide
CID 42833437
5-(2,3-dimethylphenoxy)-4-[4-(4-ethylpiperazine-1-carbonyl)anilino]-2-(4-methoxyphenyl)pyridazin-3-one
CID 46006285
2-(4-methoxyphenyl)-4-[3-(morpholine-4-carbonyl)anilino]-5-phenoxypyridazin-3-one
CID 46149497
N-butan-2-yl-3-[[2-(4-chlorophenyl)-5-(4-methoxyphenoxy)-3-oxopyridazin-4-yl]amino]benzamide
CID 42833436
5-(2,3-dihydro-1H-inden-5-yloxy)-2-(4-methoxyphenyl)-4-[3-(4-methylpiperazine-1-carbonyl)anilino]pyridazin-3-one
CID 46002211
4-[[2-(4-methoxyphenyl)-3-oxo-5-phenoxypyridazin-4-yl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 93158758
4-[3-(4-acetylpiperazine-1-carbonyl)anilino]-5-(2,3-dimethylphenoxy)-2-(4-methoxyphenyl)pyridazin-3-one
CID 46006272
5-(4-fluorophenoxy)-2-methyl-4-[4-(4-methylpiperazine-1-carbonyl)anilino]pyridazin-3-one
CID 42832695
4-[4-(4-acetylpiperazine-1-carbonyl)anilino]-5-(4-fluorophenoxy)-2-methylpyridazin-3-one
CID 42832694

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-(4-methoxyphenoxy)-4-[4-(pyrrolidine-1-carbonyl)anilino]pyridazin-3-one?
The IUPAC name of 2-(4-chlorophenyl)-5-(4-methoxyphenoxy)-4-[4-(pyrrolidine-1-carbonyl)anilino]pyridazin-3-one (CID 46000907) is 2-(4-chlorophenyl)-5-(4-methoxyphenoxy)-4-[4-(pyrrolidine-1-carbonyl)anilino]pyridazin-3-one.
What is the SMILES notation for 2-(4-chlorophenyl)-5-(4-methoxyphenoxy)-4-[4-(pyrrolidine-1-carbonyl)anilino]pyridazin-3-one?
The canonical SMILES for 2-(4-chlorophenyl)-5-(4-methoxyphenoxy)-4-[4-(pyrrolidine-1-carbonyl)anilino]pyridazin-3-one is COc1ccc(Oc2cnn(-c3ccc(Cl)cc3)c(=O)c2Nc2ccc(C(=O)N3CCCC3)cc2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-5-(4-methoxyphenoxy)-4-[4-(pyrrolidine-1-carbonyl)anilino]pyridazin-3-one?
The InChIKey is DDOVUVOISCMKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25ClN4O4/c1-36-23-12-14-24(15-13-23)37-25-18-30-33(22-10-6-20(29)7-11-22)28(35)26(25)31-21-8-4-19(5-9-21)27(34)32-16-2-3-17-32/h4-15,18,31H,2-3,16-17H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-5-(4-methoxyphenoxy)-4-[4-(pyrrolidine-1-carbonyl)anilino]pyridazin-3-one?
2-(4-chlorophenyl)-5-(4-methoxyphenoxy)-4-[4-(pyrrolidine-1-carbonyl)anilino]pyridazin-3-one has a molecular weight of 516.99 g/mol, XLogP of 5.67, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-(4-methoxyphenoxy)-4-[4-(pyrrolidine-1-carbonyl)anilino]pyridazin-3-one is sourced from PubChem (CID 46000907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).