1-[[3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide

C21H22N4O3 — CID 75477384

IUPAC1-[[3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide
SMILESCOc1cc(-c2noc(CN3CCCc4cc(C(N)=O)ccc43)n2)ccc1C
InChIInChI=1S/C21H22N4O3/c1-13-5-6-16(11-18(13)27-2)21-23-19(28-24-21)12-25-9-3-4-14-10-15(20(22)26)7-8-17(14)25/h5-8,10-11H,3-4,9,12H2,1-2H3,(H2,22,26)
InChIKeyZCUJLNUDQLFNBD-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.11
Rot. Bonds5

About 1-[[3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide

1-[[3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide (PubChem CID 75477384) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 1-[[3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide.

Molecular Properties

Compound Name1-[[3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide
PubChem CID75477384
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name1-[[3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide
SMILESCOc1cc(-c2noc(CN3CCCc4cc(C(N)=O)ccc43)n2)ccc1C
InChIInChI=1S/C21H22N4O3/c1-13-5-6-16(11-18(13)27-2)21-23-19(28-24-21)12-25-9-3-4-14-10-15(20(22)26)7-8-17(14)25/h5-8,10-11H,3-4,9,12H2,1-2H3,(H2,22,26)
InChIKeyZCUJLNUDQLFNBD-UHFFFAOYSA-N
XLogP3.11
TPSA94.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide?
The IUPAC name of 1-[[3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide (CID 75477384) is 1-[[3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide.
What is the SMILES notation for 1-[[3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide?
The canonical SMILES for 1-[[3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide is COc1cc(-c2noc(CN3CCCc4cc(C(N)=O)ccc43)n2)ccc1C.
What is the InChIKey of 1-[[3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide?
The InChIKey is ZCUJLNUDQLFNBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-13-5-6-16(11-18(13)27-2)21-23-19(28-24-21)12-25-9-3-4-14-10-15(20(22)26)7-8-17(14)25/h5-8,10-11H,3-4,9,12H2,1-2H3,(H2,22,26).
What are the key properties of 1-[[3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide?
1-[[3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide is sourced from PubChem (CID 75477384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).