1-[[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dihydro-2H-quinolin-4-ol

C17H17N5O3 — CID 167779642

IUPAC1-[[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dihydro-2H-quinolin-4-ol
SMILESCOc1ccc(-c2noc(CN3CCC(O)c4ccccc43)n2)nn1
InChIInChI=1S/C17H17N5O3/c1-24-15-7-6-12(19-20-15)17-18-16(25-21-17)10-22-9-8-14(23)11-4-2-3-5-13(11)22/h2-7,14,23H,8-10H2,1H3
InChIKeyZMAOCWYGWYQFLR-UHFFFAOYSA-N
MW339.36 g/mol
LogP1.98
Rot. Bonds4

About 1-[[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dihydro-2H-quinolin-4-ol

1-[[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dihydro-2H-quinolin-4-ol (PubChem CID 167779642) has the molecular formula C17H17N5O3 and a molecular weight of 339.36 g/mol. Its IUPAC name is 1-[[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dihydro-2H-quinolin-4-ol.

Molecular Properties

Compound Name1-[[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dihydro-2H-quinolin-4-ol
PubChem CID167779642
Molecular FormulaC17H17N5O3
Molecular Weight339.36 g/mol
Exact Mass339.13
IUPAC Name1-[[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dihydro-2H-quinolin-4-ol
SMILESCOc1ccc(-c2noc(CN3CCC(O)c4ccccc43)n2)nn1
InChIInChI=1S/C17H17N5O3/c1-24-15-7-6-12(19-20-15)17-18-16(25-21-17)10-22-9-8-14(23)11-4-2-3-5-13(11)22/h2-7,14,23H,8-10H2,1H3
InChIKeyZMAOCWYGWYQFLR-UHFFFAOYSA-N
XLogP1.98
TPSA97.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dihydro-2H-quinolin-4-ol with MolForge

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Related Compounds

1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-4-ol
CID 114337641
1-[(2-fluoro-3-methoxyphenyl)methyl]-3,4-dihydro-2H-quinolin-4-ol
CID 114337659
1-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-amine
CID 103372818
1-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 103375297
1-[(2-fluoro-4-methoxyphenyl)methyl]-3,4-dihydro-2H-quinolin-4-ol
CID 102880144
3-(6-methoxypyridazin-3-yl)-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole
CID 103372840
1-benzyl-3,4-dihydro-2H-quinolin-4-ol
CID 114337756
4-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 103375309
1,1-difluoro-3-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]propan-2-one
CID 103375278
1-methoxy-3-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 103375301
3-hydroxy-4-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]butanenitrile
CID 106527932
3-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]oxan-4-ol
CID 106474258

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dihydro-2H-quinolin-4-ol?
The IUPAC name of 1-[[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dihydro-2H-quinolin-4-ol (CID 167779642) is 1-[[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dihydro-2H-quinolin-4-ol.
What is the SMILES notation for 1-[[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dihydro-2H-quinolin-4-ol?
The canonical SMILES for 1-[[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dihydro-2H-quinolin-4-ol is COc1ccc(-c2noc(CN3CCC(O)c4ccccc43)n2)nn1.
What is the InChIKey of 1-[[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dihydro-2H-quinolin-4-ol?
The InChIKey is ZMAOCWYGWYQFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3/c1-24-15-7-6-12(19-20-15)17-18-16(25-21-17)10-22-9-8-14(23)11-4-2-3-5-13(11)22/h2-7,14,23H,8-10H2,1H3.
What are the key properties of 1-[[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dihydro-2H-quinolin-4-ol?
1-[[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dihydro-2H-quinolin-4-ol has a molecular weight of 339.36 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dihydro-2H-quinolin-4-ol is sourced from PubChem (CID 167779642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).