2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide

C18H20N2O2 — CID 18687364

IUPAC2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide
SMILESCOc1ccccc1C(=O)Nc1ccc2c(c1)CN(C)CC2
InChIInChI=1S/C18H20N2O2/c1-20-10-9-13-7-8-15(11-14(13)12-20)19-18(21)16-5-3-4-6-17(16)22-2/h3-8,11H,9-10,12H2,1-2H3,(H,19,21)
InChIKeyFSSIYGJHDAIXTM-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.94
Rot. Bonds3

About 2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide

2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide (PubChem CID 18687364) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide.

Molecular Properties

Compound Name2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide
PubChem CID18687364
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide
SMILESCOc1ccccc1C(=O)Nc1ccc2c(c1)CN(C)CC2
InChIInChI=1S/C18H20N2O2/c1-20-10-9-13-7-8-15(11-14(13)12-20)19-18(21)16-5-3-4-6-17(16)22-2/h3-8,11H,9-10,12H2,1-2H3,(H,19,21)
InChIKeyFSSIYGJHDAIXTM-UHFFFAOYSA-N
XLogP2.94
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-(trifluoromethoxy)benzamide
CID 70206950
4-tert-butyl-2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide
CID 10066617
N-[2-(cyclopentene-1-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-methoxybenzamide
CID 42240655
2-bromo-5-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide
CID 22597747
2,4-difluoro-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide
CID 22597780
methyl 7-[(2-phenoxybenzoyl)amino]-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 121034862
2-ethoxy-N-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide
CID 16930837
4-tert-butyl-2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)benzamide;4-tert-butyl-2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)benzamide
CID 160843612
N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-ethoxybenzamide
CID 16943471
N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-2,4-dimethoxybenzamide
CID 16942883
4-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(1,1,2,2,2-pentafluoroethyl)benzamide;hydrochloride
CID 22597764
3-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-1,2-oxazole-5-carboxamide
CID 22597836

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide?
The IUPAC name of 2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide (CID 18687364) is 2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide.
What is the SMILES notation for 2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide?
The canonical SMILES for 2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide is COc1ccccc1C(=O)Nc1ccc2c(c1)CN(C)CC2.
What is the InChIKey of 2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide?
The InChIKey is FSSIYGJHDAIXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-20-10-9-13-7-8-15(11-14(13)12-20)19-18(21)16-5-3-4-6-17(16)22-2/h3-8,11H,9-10,12H2,1-2H3,(H,19,21).
What are the key properties of 2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide?
2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide has a molecular weight of 296.37 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide is sourced from PubChem (CID 18687364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).