4-methoxy-N-(7-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)benzamide

C18H20N2O2 — CID 82584938

IUPAC4-methoxy-N-(7-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)benzamide
SMILESCOc1ccc(C(=O)NC2CNCc3cc(C)ccc32)cc1
InChIInChI=1S/C18H20N2O2/c1-12-3-8-16-14(9-12)10-19-11-17(16)20-18(21)13-4-6-15(22-2)7-5-13/h3-9,17,19H,10-11H2,1-2H3,(H,20,21)
InChIKeyQLPBFPPURULXSS-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.58
Rot. Bonds3

About 4-methoxy-N-(7-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)benzamide

4-methoxy-N-(7-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)benzamide (PubChem CID 82584938) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 4-methoxy-N-(7-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)benzamide.

Molecular Properties

Compound Name4-methoxy-N-(7-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)benzamide
PubChem CID82584938
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name4-methoxy-N-(7-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)benzamide
SMILESCOc1ccc(C(=O)NC2CNCc3cc(C)ccc32)cc1
InChIInChI=1S/C18H20N2O2/c1-12-3-8-16-14(9-12)10-19-11-17(16)20-18(21)13-4-6-15(22-2)7-5-13/h3-9,17,19H,10-11H2,1-2H3,(H,20,21)
InChIKeyQLPBFPPURULXSS-UHFFFAOYSA-N
XLogP2.58
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-N-(6-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)benzamide
CID 82585016
4-amino-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]benzamide
CID 167568086
N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2,4-dimethylbenzamide
CID 133200269
ethyl (E)-3-[1-[(4-methoxybenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate
CID 155181465
N-(1,2,3,4-tetrahydroisoquinolin-4-yl)pyridine-4-carboxamide
CID 82584887
4-(2-methoxyethylsulfonyl)-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]benzamide
CID 167659779
N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-4-methylbenzamide
CID 110399665
N-(7-tert-butyl-1,2,3,4-tetrahydroisoquinolin-4-yl)-2-methylpropanamide
CID 82585080
7-methoxy-1,2,3,4-tetrahydroisoquinolin-4-ol;hydrochloride
CID 161060246
4-[(2,5-dimethyl-N-methylsulfonylanilino)methyl]-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 133251974
N-(4-hydroxyazepan-3-yl)-4-methoxybenzamide
CID 74505343
4-methoxy-N-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)benzamide
CID 110751385

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(7-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)benzamide?
The IUPAC name of 4-methoxy-N-(7-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)benzamide (CID 82584938) is 4-methoxy-N-(7-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)benzamide.
What is the SMILES notation for 4-methoxy-N-(7-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)benzamide?
The canonical SMILES for 4-methoxy-N-(7-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)benzamide is COc1ccc(C(=O)NC2CNCc3cc(C)ccc32)cc1.
What is the InChIKey of 4-methoxy-N-(7-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)benzamide?
The InChIKey is QLPBFPPURULXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-12-3-8-16-14(9-12)10-19-11-17(16)20-18(21)13-4-6-15(22-2)7-5-13/h3-9,17,19H,10-11H2,1-2H3,(H,20,21).
What are the key properties of 4-methoxy-N-(7-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)benzamide?
4-methoxy-N-(7-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)benzamide has a molecular weight of 296.37 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(7-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)benzamide is sourced from PubChem (CID 82584938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).