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

C19H22N2O2 — CID 22597840

IUPAC4-ethoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide
SMILESCCOc1ccc(C(=O)Nc2ccc3c(c2)CN(C)CC3)cc1
InChIInChI=1S/C19H22N2O2/c1-3-23-18-8-5-15(6-9-18)19(22)20-17-7-4-14-10-11-21(2)13-16(14)12-17/h4-9,12H,3,10-11,13H2,1-2H3,(H,20,22)
InChIKeyXJYGKTKHKCKQFV-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.33
Rot. Bonds4

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

4-ethoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide (PubChem CID 22597840) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 4-ethoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide.

Molecular Properties

Compound Name4-ethoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide
PubChem CID22597840
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name4-ethoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide
SMILESCCOc1ccc(C(=O)Nc2ccc3c(c2)CN(C)CC3)cc1
InChIInChI=1S/C19H22N2O2/c1-3-23-18-8-5-15(6-9-18)19(22)20-17-7-4-14-10-11-21(2)13-16(14)12-17/h4-9,12H,3,10-11,13H2,1-2H3,(H,20,22)
InChIKeyXJYGKTKHKCKQFV-UHFFFAOYSA-N
XLogP3.33
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-[(2-methylpropan-2-yl)oxy]benzamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-propoxybenzamide
CID 161073384
N-(2,3-dihydro-1H-inden-5-yl)-4-ethoxybenzamide
CID 2673454
N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-4-ethoxybenzamide
CID 16943535
4-bromo-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide
CID 22597703
methyl 7-[(3,4-diethoxybenzoyl)amino]-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 121034857
N-(2,3-dihydro-1-benzofuran-5-yl)-4-ethoxybenzamide
CID 38558658
4-ethoxy-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide
CID 27652443
N-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-4-butoxybenzamide
CID 16930710
2-(4-ethoxyphenoxy)-N-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide
CID 16930954
N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-(4-ethoxyphenyl)acetamide
CID 16942838
N-(2-benzoyl-3,4-dihydro-1H-isoquinolin-7-yl)-3,4-diethoxybenzamide
CID 16943640
2-bromo-5-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide
CID 22597747

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide?
The IUPAC name of 4-ethoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide (CID 22597840) is 4-ethoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide.
What is the SMILES notation for 4-ethoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide?
The canonical SMILES for 4-ethoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide is CCOc1ccc(C(=O)Nc2ccc3c(c2)CN(C)CC3)cc1.
What is the InChIKey of 4-ethoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide?
The InChIKey is XJYGKTKHKCKQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-3-23-18-8-5-15(6-9-18)19(22)20-17-7-4-14-10-11-21(2)13-16(14)12-17/h4-9,12H,3,10-11,13H2,1-2H3,(H,20,22).
What are the key properties of 4-ethoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide?
4-ethoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide has a molecular weight of 310.40 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide is sourced from PubChem (CID 22597840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).