N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide;hydrochloride

C17H23ClN4O3 — CID 91659747

IUPACN-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide;hydrochloride
SMILESCOCCc1noc(CN(C)C(=O)C2NCCc3ccccc32)n1.Cl
InChIInChI=1S/C17H22N4O3.ClH/c1-21(11-15-19-14(20-24-15)8-10-23-2)17(22)16-13-6-4-3-5-12(13)7-9-18-16;/h3-6,16,18H,7-11H2,1-2H3;1H
InChIKeyLOVOADUKEOQBIT-UHFFFAOYSA-N
MW366.85 g/mol
LogP1.53
Rot. Bonds6

About N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide;hydrochloride

N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide;hydrochloride (PubChem CID 91659747) has the molecular formula C17H23ClN4O3 and a molecular weight of 366.85 g/mol. Its IUPAC name is N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide;hydrochloride
PubChem CID91659747
Molecular FormulaC17H23ClN4O3
Molecular Weight366.85 g/mol
Exact Mass366.15
IUPAC NameN-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide;hydrochloride
SMILESCOCCc1noc(CN(C)C(=O)C2NCCc3ccccc32)n1.Cl
InChIInChI=1S/C17H22N4O3.ClH/c1-21(11-15-19-14(20-24-15)8-10-23-2)17(22)16-13-6-4-3-5-12(13)7-9-18-16;/h3-6,16,18H,7-11H2,1-2H3;1H
InChIKeyLOVOADUKEOQBIT-UHFFFAOYSA-N
XLogP1.53
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide;hydrochloride with MolForge

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Related Compounds

N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1H-benzimidazole-2-carboxamide
CID 77085663
N-(2-methoxyethyl)-N-propan-2-yl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
CID 82948210
N-methyl-N-(2-methylprop-2-enyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
CID 113498609
5-(4-fluorophenyl)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpyrazolidine-3-carboxamide
CID 78086018
(4S)-6-methoxy-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 97132873
N-[2-[2-methoxyethyl(methyl)amino]ethyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
CID 62842961
2-(dimethylamino)-2-(2-fluorophenyl)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylacetamide
CID 72931424
methyl (1S)-1,2,3,4-tetrahydroisoquinoline-1-carboxylate
CID 86324756
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylacetamide
CID 118764635
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N-methylmethanamine
CID 91837128
(3S)-1-[2-(4-chlorophenyl)ethyl]-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-6-oxopiperidine-3-carboxamide
CID 42215343
N-(4-hydroxyphenyl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
CID 107734433

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide;hydrochloride?
The IUPAC name of N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide;hydrochloride (CID 91659747) is N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide;hydrochloride.
What is the SMILES notation for N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide;hydrochloride?
The canonical SMILES for N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide;hydrochloride is COCCc1noc(CN(C)C(=O)C2NCCc3ccccc32)n1.Cl.
What is the InChIKey of N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide;hydrochloride?
The InChIKey is LOVOADUKEOQBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3.ClH/c1-21(11-15-19-14(20-24-15)8-10-23-2)17(22)16-13-6-4-3-5-12(13)7-9-18-16;/h3-6,16,18H,7-11H2,1-2H3;1H.
What are the key properties of N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide;hydrochloride?
N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide;hydrochloride has a molecular weight of 366.85 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide;hydrochloride is sourced from PubChem (CID 91659747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).