2-ethyl-N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

C17H22N4O3 — CID 91795680

IUPAC2-ethyl-N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
SMILESCCN1Cc2ccccc2CC1C(=O)NCc1noc(COC)n1
InChIInChI=1S/C17H22N4O3/c1-3-21-10-13-7-5-4-6-12(13)8-14(21)17(22)18-9-15-19-16(11-23-2)24-20-15/h4-7,14H,3,8-11H2,1-2H3,(H,18,22)
InChIKeyUQWPBBPVUTXWNR-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.28
Rot. Bonds6

About 2-ethyl-N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

2-ethyl-N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide (PubChem CID 91795680) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 2-ethyl-N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
PubChem CID91795680
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name2-ethyl-N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
SMILESCCN1Cc2ccccc2CC1C(=O)NCc1noc(COC)n1
InChIInChI=1S/C17H22N4O3/c1-3-21-10-13-7-5-4-6-12(13)8-14(21)17(22)18-9-15-19-16(11-23-2)24-20-15/h4-7,14H,3,8-11H2,1-2H3,(H,18,22)
InChIKeyUQWPBBPVUTXWNR-UHFFFAOYSA-N
XLogP1.28
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-ethyl-N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide with MolForge

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Related Compounds

2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 62875526
2-[[3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 47021175
(3S)-2-ethyl-N-[(1-propylpyrazol-4-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 95137435
(3R)-2-ethyl-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 124750580
(3R)-2-ethyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 7446755
N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-ethyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 131902391
(3R)-N-methyl-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 34202896
[2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-3,4-dihydro-1H-isoquinolin-3-yl]-pyrrolidin-1-ylmethanone
CID 120750800
(3R)-2-ethyl-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 136756274
2-fluoro-N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide
CID 91917633
4,4,4-trifluoro-N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]butanamide
CID 91762217
N-methyl-2-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 47053628

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide?
The IUPAC name of 2-ethyl-N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide (CID 91795680) is 2-ethyl-N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide.
What is the SMILES notation for 2-ethyl-N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide?
The canonical SMILES for 2-ethyl-N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide is CCN1Cc2ccccc2CC1C(=O)NCc1noc(COC)n1.
What is the InChIKey of 2-ethyl-N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide?
The InChIKey is UQWPBBPVUTXWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-3-21-10-13-7-5-4-6-12(13)8-14(21)17(22)18-9-15-19-16(11-23-2)24-20-15/h4-7,14H,3,8-11H2,1-2H3,(H,18,22).
What are the key properties of 2-ethyl-N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide?
2-ethyl-N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide is sourced from PubChem (CID 91795680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).