N-(1,2,3,4-tetrahydroisoquinolin-7-yl)oxane-4-carboxamide

C15H20N2O2 — CID 63901725

IUPACN-(1,2,3,4-tetrahydroisoquinolin-7-yl)oxane-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)CNCC2)C1CCOCC1
InChIInChI=1S/C15H20N2O2/c18-15(12-4-7-19-8-5-12)17-14-2-1-11-3-6-16-10-13(11)9-14/h1-2,9,12,16H,3-8,10H2,(H,17,18)
InChIKeyJQAXZFWUFWVUAF-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.70
Rot. Bonds2

About N-(1,2,3,4-tetrahydroisoquinolin-7-yl)oxane-4-carboxamide

N-(1,2,3,4-tetrahydroisoquinolin-7-yl)oxane-4-carboxamide (PubChem CID 63901725) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-(1,2,3,4-tetrahydroisoquinolin-7-yl)oxane-4-carboxamide.

Molecular Properties

Compound NameN-(1,2,3,4-tetrahydroisoquinolin-7-yl)oxane-4-carboxamide
PubChem CID63901725
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN-(1,2,3,4-tetrahydroisoquinolin-7-yl)oxane-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)CNCC2)C1CCOCC1
InChIInChI=1S/C15H20N2O2/c18-15(12-4-7-19-8-5-12)17-14-2-1-11-3-6-16-10-13(11)9-14/h1-2,9,12,16H,3-8,10H2,(H,17,18)
InChIKeyJQAXZFWUFWVUAF-UHFFFAOYSA-N
XLogP1.70
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,4-dioxane-2-carboxamide
CID 63901328
N-[4-(cyclopropanecarbonylamino)phenyl]oxane-4-carboxamide
CID 30179617
(2S)-5-oxo-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrrolidine-2-carboxamide
CID 103806993
N-(2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)cyclopropanecarboxamide
CID 91909393
N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 119581157
N-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxolane-3-carboxamide
CID 78004870
N-(3,4-difluorophenyl)oxane-4-carboxamide
CID 31963323
1-(4-fluorophenyl)-3-(1,2,3,4-tetrahydroisoquinolin-7-yl)urea
CID 63901955
N-(3-iodo-4-methylphenyl)oxane-4-carboxamide
CID 31969171
N-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrrolidine-3-carboxamide
CID 115159350
2-cyclopentyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)acetamide
CID 63901315
N-(1,2,3,4-tetrahydroquinolin-6-yl)oxolane-3-carboxamide
CID 55138702

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,4-tetrahydroisoquinolin-7-yl)oxane-4-carboxamide?
The IUPAC name of N-(1,2,3,4-tetrahydroisoquinolin-7-yl)oxane-4-carboxamide (CID 63901725) is N-(1,2,3,4-tetrahydroisoquinolin-7-yl)oxane-4-carboxamide.
What is the SMILES notation for N-(1,2,3,4-tetrahydroisoquinolin-7-yl)oxane-4-carboxamide?
The canonical SMILES for N-(1,2,3,4-tetrahydroisoquinolin-7-yl)oxane-4-carboxamide is O=C(Nc1ccc2c(c1)CNCC2)C1CCOCC1.
What is the InChIKey of N-(1,2,3,4-tetrahydroisoquinolin-7-yl)oxane-4-carboxamide?
The InChIKey is JQAXZFWUFWVUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c18-15(12-4-7-19-8-5-12)17-14-2-1-11-3-6-16-10-13(11)9-14/h1-2,9,12,16H,3-8,10H2,(H,17,18).
What are the key properties of N-(1,2,3,4-tetrahydroisoquinolin-7-yl)oxane-4-carboxamide?
N-(1,2,3,4-tetrahydroisoquinolin-7-yl)oxane-4-carboxamide has a molecular weight of 260.34 g/mol, XLogP of 1.70, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,4-tetrahydroisoquinolin-7-yl)oxane-4-carboxamide is sourced from PubChem (CID 63901725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).