N-(3,4-dimethoxyphenyl)-2-[4-(3-methoxyphenyl)-3-methyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl]propanamide

C24H24N4O6 — CID 53056394

IUPACN-(3,4-dimethoxyphenyl)-2-[4-(3-methoxyphenyl)-3-methyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl]propanamide
SMILESCOc1cccc(-c2nn(C(C)C(=O)Nc3ccc(OC)c(OC)c3)c(=O)c3noc(C)c23)c1
InChIInChI=1S/C24H24N4O6/c1-13(23(29)25-16-9-10-18(32-4)19(12-16)33-5)28-24(30)22-20(14(2)34-27-22)21(26-28)15-7-6-8-17(11-15)31-3/h6-13H,1-5H3,(H,25,29)
InChIKeyLJRXYLQZMICLQC-UHFFFAOYSA-N
MW464.48 g/mol
LogP3.59
Rot. Bonds7

About N-(3,4-dimethoxyphenyl)-2-[4-(3-methoxyphenyl)-3-methyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl]propanamide

N-(3,4-dimethoxyphenyl)-2-[4-(3-methoxyphenyl)-3-methyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl]propanamide (PubChem CID 53056394) has the molecular formula C24H24N4O6 and a molecular weight of 464.48 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-[4-(3-methoxyphenyl)-3-methyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl]propanamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-[4-(3-methoxyphenyl)-3-methyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl]propanamide
PubChem CID53056394
Molecular FormulaC24H24N4O6
Molecular Weight464.48 g/mol
Exact Mass464.17
IUPAC NameN-(3,4-dimethoxyphenyl)-2-[4-(3-methoxyphenyl)-3-methyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl]propanamide
SMILESCOc1cccc(-c2nn(C(C)C(=O)Nc3ccc(OC)c(OC)c3)c(=O)c3noc(C)c23)c1
InChIInChI=1S/C24H24N4O6/c1-13(23(29)25-16-9-10-18(32-4)19(12-16)33-5)28-24(30)22-20(14(2)34-27-22)21(26-28)15-7-6-8-17(11-15)31-3/h6-13H,1-5H3,(H,25,29)
InChIKeyLJRXYLQZMICLQC-UHFFFAOYSA-N
XLogP3.59
TPSA117.71 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.48
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-(2,6-dimethylphenyl)-2-[4-(3-methoxyphenyl)-3-methyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl]propanamide
CID 53056392
(2R)-N-(3,4-dimethoxyphenyl)-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)propanamide
CID 95064964
N-(2-chlorophenyl)-2-[4-(3-methoxyphenyl)-3-methyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl]propanamide
CID 53056375
(2R)-N-(3-chloro-2-methylphenyl)-2-[4-(3-methoxyphenyl)-3-methyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl]propanamide
CID 95064797
(2R)-N-(4-ethoxyphenyl)-2-[4-(4-methoxyphenyl)-3-methyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl]propanamide
CID 95064859
(2S)-N-(4-ethoxyphenyl)-2-[4-(4-methoxyphenyl)-3-methyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl]propanamide
CID 95064860
N-(5-chloro-2-methylphenyl)-2-[4-(3-methoxyphenyl)-3-methyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl]butanamide
CID 53056360
(2S)-N-benzyl-2-[4-(3-methoxyphenyl)-3-methyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl]-N-propan-2-ylbutanamide
CID 95064775
N-(3,4-dimethylphenyl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide
CID 142338864
6-[(2-fluorophenyl)methyl]-4-(3-methoxyphenyl)-3-methyl-[1,2]oxazolo[3,4-d]pyridazin-7-one
CID 46291312
N-(3-methoxyphenyl)-2-[4-(4-methylphenyl)-1-oxo-5,6,7,8-tetrahydrophthalazin-2-yl]propanamide
CID 46263020
N-ethyl-2-[4-(3-methoxyphenyl)-3-methyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl]-N-phenylacetamide
CID 53056339

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-[4-(3-methoxyphenyl)-3-methyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl]propanamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-[4-(3-methoxyphenyl)-3-methyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl]propanamide (CID 53056394) is N-(3,4-dimethoxyphenyl)-2-[4-(3-methoxyphenyl)-3-methyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl]propanamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-[4-(3-methoxyphenyl)-3-methyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl]propanamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-[4-(3-methoxyphenyl)-3-methyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl]propanamide is COc1cccc(-c2nn(C(C)C(=O)Nc3ccc(OC)c(OC)c3)c(=O)c3noc(C)c23)c1.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-[4-(3-methoxyphenyl)-3-methyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl]propanamide?
The InChIKey is LJRXYLQZMICLQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O6/c1-13(23(29)25-16-9-10-18(32-4)19(12-16)33-5)28-24(30)22-20(14(2)34-27-22)21(26-28)15-7-6-8-17(11-15)31-3/h6-13H,1-5H3,(H,25,29).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-[4-(3-methoxyphenyl)-3-methyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl]propanamide?
N-(3,4-dimethoxyphenyl)-2-[4-(3-methoxyphenyl)-3-methyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl]propanamide has a molecular weight of 464.48 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-[4-(3-methoxyphenyl)-3-methyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl]propanamide is sourced from PubChem (CID 53056394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).