1-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide

C24H28N4O3 — CID 25376330

IUPAC1-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide
SMILESCCOc1ccccc1-c1noc(CN2CCCc3c(C(=O)NC(C)C)cccc32)n1
InChIInChI=1S/C24H28N4O3/c1-4-30-21-13-6-5-9-19(21)23-26-22(31-27-23)15-28-14-8-11-17-18(10-7-12-20(17)28)24(29)25-16(2)3/h5-7,9-10,12-13,16H,4,8,11,14-15H2,1-3H3,(H,25,29)
InChIKeyGBKBZLXFSJVTBP-UHFFFAOYSA-N
MW420.51 g/mol
LogP4.23
Rot. Bonds7

About 1-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide

1-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide (PubChem CID 25376330) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is 1-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide.

Molecular Properties

Compound Name1-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide
PubChem CID25376330
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Name1-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide
SMILESCCOc1ccccc1-c1noc(CN2CCCc3c(C(=O)NC(C)C)cccc32)n1
InChIInChI=1S/C24H28N4O3/c1-4-30-21-13-6-5-9-19(21)23-26-22(31-27-23)15-28-14-8-11-17-18(10-7-12-20(17)28)24(29)25-16(2)3/h5-7,9-10,12-13,16H,4,8,11,14-15H2,1-3H3,(H,25,29)
InChIKeyGBKBZLXFSJVTBP-UHFFFAOYSA-N
XLogP4.23
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide?
The IUPAC name of 1-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide (CID 25376330) is 1-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide.
What is the SMILES notation for 1-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide?
The canonical SMILES for 1-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide is CCOc1ccccc1-c1noc(CN2CCCc3c(C(=O)NC(C)C)cccc32)n1.
What is the InChIKey of 1-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide?
The InChIKey is GBKBZLXFSJVTBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-4-30-21-13-6-5-9-19(21)23-26-22(31-27-23)15-28-14-8-11-17-18(10-7-12-20(17)28)24(29)25-16(2)3/h5-7,9-10,12-13,16H,4,8,11,14-15H2,1-3H3,(H,25,29).
What are the key properties of 1-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide?
1-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide has a molecular weight of 420.51 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide is sourced from PubChem (CID 25376330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).