2-methoxy-5-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide

C17H18N2O2 — CID 56875194

IUPAC2-methoxy-5-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide
SMILESCOc1ccc(-c2cccc3c2CCNC3)cc1C(N)=O
InChIInChI=1S/C17H18N2O2/c1-21-16-6-5-11(9-15(16)17(18)20)13-4-2-3-12-10-19-8-7-14(12)13/h2-6,9,19H,7-8,10H2,1H3,(H2,18,20)
InChIKeyFVHXSCLDFXWXBX-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.11
Rot. Bonds3

About 2-methoxy-5-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide

2-methoxy-5-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide (PubChem CID 56875194) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-methoxy-5-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide.

Molecular Properties

Compound Name2-methoxy-5-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide
PubChem CID56875194
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name2-methoxy-5-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide
SMILESCOc1ccc(-c2cccc3c2CCNC3)cc1C(N)=O
InChIInChI=1S/C17H18N2O2/c1-21-16-6-5-11(9-15(16)17(18)20)13-4-2-3-12-10-19-8-7-14(12)13/h2-6,9,19H,7-8,10H2,1H3,(H2,18,20)
InChIKeyFVHXSCLDFXWXBX-UHFFFAOYSA-N
XLogP2.11
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-hydroxy-5-(1,2,3,4-tetrahydroisoquinolin-5-yl)phenyl]ethanone
CID 56875605
(2R)-2-[3-(1,2,3,4-tetrahydroisoquinolin-5-yl)phenoxy]propanamide
CID 95554001
5-(3,5-dimethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 56866430
5-(2-methoxy-4,6-dimethylphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 106781910
3-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-5-yl)benzoic acid
CID 82583495
2-methoxy-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide
CID 43808436
N-[(1S)-1-[4-(1,2,3,4-tetrahydroisoquinolin-5-yl)phenyl]ethyl]acetamide
CID 95556788
N-(2-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104557860
5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1H-pyridin-2-one
CID 56869022
6-methoxy-1,2,3,4-tetrahydroisoquinolin-5-ol
CID 83875098
5-pyridin-3-yl-1,2,3,4-tetrahydroisoquinoline
CID 56863104
N-methoxy-N-methyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558389

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide?
The IUPAC name of 2-methoxy-5-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide (CID 56875194) is 2-methoxy-5-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide.
What is the SMILES notation for 2-methoxy-5-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide?
The canonical SMILES for 2-methoxy-5-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide is COc1ccc(-c2cccc3c2CCNC3)cc1C(N)=O.
What is the InChIKey of 2-methoxy-5-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide?
The InChIKey is FVHXSCLDFXWXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-21-16-6-5-11(9-15(16)17(18)20)13-4-2-3-12-10-19-8-7-14(12)13/h2-6,9,19H,7-8,10H2,1H3,(H2,18,20).
What are the key properties of 2-methoxy-5-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide?
2-methoxy-5-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide has a molecular weight of 282.34 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide is sourced from PubChem (CID 56875194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).