1-[3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-[3-(6-methoxy-1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-one

C26H28N4O4 — CID 15542905

IUPAC1-[3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-[3-(6-methoxy-1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-one
SMILESCOc1ccc2cc(-c3noc(CCC(=O)N4CC(CN(C)C)Cc5ccccc54)n3)oc2c1
InChIInChI=1S/C26H28N4O4/c1-29(2)15-17-12-18-6-4-5-7-21(18)30(16-17)25(31)11-10-24-27-26(28-34-24)23-13-19-8-9-20(32-3)14-22(19)33-23/h4-9,13-14,17H,10-12,15-16H2,1-3H3
InChIKeyQYPGIUKKJWTKKU-UHFFFAOYSA-N
MW460.53 g/mol
LogP4.19
Rot. Bonds7

About 1-[3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-[3-(6-methoxy-1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-one

1-[3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-[3-(6-methoxy-1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-one (PubChem CID 15542905) has the molecular formula C26H28N4O4 and a molecular weight of 460.53 g/mol. Its IUPAC name is 1-[3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-[3-(6-methoxy-1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-[3-(6-methoxy-1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-one
PubChem CID15542905
Molecular FormulaC26H28N4O4
Molecular Weight460.53 g/mol
Exact Mass460.21
IUPAC Name1-[3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-[3-(6-methoxy-1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-one
SMILESCOc1ccc2cc(-c3noc(CCC(=O)N4CC(CN(C)C)Cc5ccccc54)n3)oc2c1
InChIInChI=1S/C26H28N4O4/c1-29(2)15-17-12-18-6-4-5-7-21(18)30(16-17)25(31)11-10-24-27-26(28-34-24)23-13-19-8-9-20(32-3)14-22(19)33-23/h4-9,13-14,17H,10-12,15-16H2,1-3H3
InChIKeyQYPGIUKKJWTKKU-UHFFFAOYSA-N
XLogP4.19
TPSA84.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-[3-(6-methoxy-1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-one with MolForge

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Related Compounds

1-[3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-[3-[(E)-2-(4-methylphenyl)ethenyl]-1,2,4-oxadiazol-5-yl]propan-1-one
CID 18333079
1-[3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(2-methylphenyl)propan-1-one
CID 18333101
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
CID 94556878
1-[3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethanone;oxalic acid
CID 18332998
4-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 63344483
6-methoxy-3-[3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-1H-quinolin-2-one
CID 110416263
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(6-methoxy-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-one
CID 122143073
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methyl-1,4-diazepan-1-yl)propan-1-one
CID 78835844
(7-methoxynaphthalen-2-yl) 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoate
CID 36808276
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(4-phenylpiperidin-1-yl)propan-1-one
CID 46539168
1-(2,3-dihydroindol-1-yl)-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one
CID 100762972
1-(2-methyl-2,3-dihydroindol-1-yl)-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one
CID 133244433

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-[3-(6-methoxy-1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-one?
The IUPAC name of 1-[3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-[3-(6-methoxy-1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-one (CID 15542905) is 1-[3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-[3-(6-methoxy-1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-one.
What is the SMILES notation for 1-[3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-[3-(6-methoxy-1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-one?
The canonical SMILES for 1-[3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-[3-(6-methoxy-1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-one is COc1ccc2cc(-c3noc(CCC(=O)N4CC(CN(C)C)Cc5ccccc54)n3)oc2c1.
What is the InChIKey of 1-[3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-[3-(6-methoxy-1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-one?
The InChIKey is QYPGIUKKJWTKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O4/c1-29(2)15-17-12-18-6-4-5-7-21(18)30(16-17)25(31)11-10-24-27-26(28-34-24)23-13-19-8-9-20(32-3)14-22(19)33-23/h4-9,13-14,17H,10-12,15-16H2,1-3H3.
What are the key properties of 1-[3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-[3-(6-methoxy-1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-one?
1-[3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-[3-(6-methoxy-1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-one has a molecular weight of 460.53 g/mol, XLogP of 4.19, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-[3-(6-methoxy-1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-one is sourced from PubChem (CID 15542905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).