6-(2-chloro-5-methoxyphenyl)-4-(dimethylamino)-2-(5-morpholin-4-yl-2-nitrosophenyl)pyridazin-3-one

C23H24ClN5O4 — CID 89246733

IUPAC6-(2-chloro-5-methoxyphenyl)-4-(dimethylamino)-2-(5-morpholin-4-yl-2-nitrosophenyl)pyridazin-3-one
SMILESCOc1ccc(Cl)c(-c2cc(N(C)C)c(=O)n(-c3cc(N4CCOCC4)ccc3N=O)n2)c1
InChIInChI=1S/C23H24ClN5O4/c1-27(2)22-14-20(17-13-16(32-3)5-6-18(17)24)25-29(23(22)30)21-12-15(4-7-19(21)26-31)28-8-10-33-11-9-28/h4-7,12-14H,8-11H2,1-3H3
InChIKeyZLVAGBSGFQAXJO-UHFFFAOYSA-N
MW469.93 g/mol
LogP3.86
Rot. Bonds6

About 6-(2-chloro-5-methoxyphenyl)-4-(dimethylamino)-2-(5-morpholin-4-yl-2-nitrosophenyl)pyridazin-3-one

6-(2-chloro-5-methoxyphenyl)-4-(dimethylamino)-2-(5-morpholin-4-yl-2-nitrosophenyl)pyridazin-3-one (PubChem CID 89246733) has the molecular formula C23H24ClN5O4 and a molecular weight of 469.93 g/mol. Its IUPAC name is 6-(2-chloro-5-methoxyphenyl)-4-(dimethylamino)-2-(5-morpholin-4-yl-2-nitrosophenyl)pyridazin-3-one.

Molecular Properties

Compound Name6-(2-chloro-5-methoxyphenyl)-4-(dimethylamino)-2-(5-morpholin-4-yl-2-nitrosophenyl)pyridazin-3-one
PubChem CID89246733
Molecular FormulaC23H24ClN5O4
Molecular Weight469.93 g/mol
Exact Mass469.15
IUPAC Name6-(2-chloro-5-methoxyphenyl)-4-(dimethylamino)-2-(5-morpholin-4-yl-2-nitrosophenyl)pyridazin-3-one
SMILESCOc1ccc(Cl)c(-c2cc(N(C)C)c(=O)n(-c3cc(N4CCOCC4)ccc3N=O)n2)c1
InChIInChI=1S/C23H24ClN5O4/c1-27(2)22-14-20(17-13-16(32-3)5-6-18(17)24)25-29(23(22)30)21-12-15(4-7-19(21)26-31)28-8-10-33-11-9-28/h4-7,12-14H,8-11H2,1-3H3
InChIKeyZLVAGBSGFQAXJO-UHFFFAOYSA-N
XLogP3.86
TPSA89.26 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.93
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

6-(2-iodo-5-methoxyphenyl)-2-(5-morpholin-4-yl-2-nitrosophenyl)-4-sulfanylidene-1H-pyridazin-3-one
CID 89246577
2-(2-amino-5-morpholin-4-ylphenyl)-4-[ethyl(methyl)amino]-6-(3-methoxyphenyl)pyridazin-3-one
CID 69162233
4-(3-morpholin-4-yl-4-nitrosophenyl)morpholine
CID 141050055
2-[[6-(3-methoxyphenyl)-2-(5-morpholin-4-yl-2-nitrophenyl)-3-oxopyridazin-4-yl]-methylamino]acetic acid
CID 69161797
5-morpholin-4-yl-2-nitrosophenolate
CID 7072900
4-[3-hydroxypropyl(methyl)amino]-6-(3-methoxyphenyl)-2-(5-morpholin-4-yl-2-nitrophenyl)pyridazin-3-one
CID 69161417
2-(2-amino-5-morpholin-4-ylphenyl)-6-(3-methoxyphenyl)-4-propan-2-ylpyridazin-3-one
CID 69161665
2-[3-(3-methoxyphenyl)-6-oxo-5-propoxypyridazin-1-yl]-4-morpholin-4-ylbenzaldehyde
CID 89246678
(4-methoxyphenyl)-(4-morpholin-4-ylphenyl)methanone
CID 22731230
4-(tert-butylamino)-6-(3-methoxyphenyl)-2-(5-morpholin-4-yl-2-nitrophenyl)pyridazin-3-one
CID 69160744
4-[4,6-bis[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]morpholine
CID 10076145
6-(3-methoxyphenyl)-N-methyl-2-(5-morpholin-4-yl-2-nitrophenyl)-3-oxopyridazine-4-carboxamide
CID 69162734

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-5-methoxyphenyl)-4-(dimethylamino)-2-(5-morpholin-4-yl-2-nitrosophenyl)pyridazin-3-one?
The IUPAC name of 6-(2-chloro-5-methoxyphenyl)-4-(dimethylamino)-2-(5-morpholin-4-yl-2-nitrosophenyl)pyridazin-3-one (CID 89246733) is 6-(2-chloro-5-methoxyphenyl)-4-(dimethylamino)-2-(5-morpholin-4-yl-2-nitrosophenyl)pyridazin-3-one.
What is the SMILES notation for 6-(2-chloro-5-methoxyphenyl)-4-(dimethylamino)-2-(5-morpholin-4-yl-2-nitrosophenyl)pyridazin-3-one?
The canonical SMILES for 6-(2-chloro-5-methoxyphenyl)-4-(dimethylamino)-2-(5-morpholin-4-yl-2-nitrosophenyl)pyridazin-3-one is COc1ccc(Cl)c(-c2cc(N(C)C)c(=O)n(-c3cc(N4CCOCC4)ccc3N=O)n2)c1.
What is the InChIKey of 6-(2-chloro-5-methoxyphenyl)-4-(dimethylamino)-2-(5-morpholin-4-yl-2-nitrosophenyl)pyridazin-3-one?
The InChIKey is ZLVAGBSGFQAXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN5O4/c1-27(2)22-14-20(17-13-16(32-3)5-6-18(17)24)25-29(23(22)30)21-12-15(4-7-19(21)26-31)28-8-10-33-11-9-28/h4-7,12-14H,8-11H2,1-3H3.
What are the key properties of 6-(2-chloro-5-methoxyphenyl)-4-(dimethylamino)-2-(5-morpholin-4-yl-2-nitrosophenyl)pyridazin-3-one?
6-(2-chloro-5-methoxyphenyl)-4-(dimethylamino)-2-(5-morpholin-4-yl-2-nitrosophenyl)pyridazin-3-one has a molecular weight of 469.93 g/mol, XLogP of 3.86, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-5-methoxyphenyl)-4-(dimethylamino)-2-(5-morpholin-4-yl-2-nitrosophenyl)pyridazin-3-one is sourced from PubChem (CID 89246733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).