3-[benzyl(methyl)amino]-6-methoxy-2H-isoquinolin-1-one

C18H18N2O2 — CID 70978405

IUPAC3-[benzyl(methyl)amino]-6-methoxy-2H-isoquinolin-1-one
SMILESCOc1ccc2c(=O)[nH]c(N(C)Cc3ccccc3)cc2c1
InChIInChI=1S/C18H18N2O2/c1-20(12-13-6-4-3-5-7-13)17-11-14-10-15(22-2)8-9-16(14)18(21)19-17/h3-11H,12H2,1-2H3,(H,19,21)
InChIKeyNYBDUFHPKCSVKG-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.17
Rot. Bonds4

About 3-[benzyl(methyl)amino]-6-methoxy-2H-isoquinolin-1-one

3-[benzyl(methyl)amino]-6-methoxy-2H-isoquinolin-1-one (PubChem CID 70978405) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 3-[benzyl(methyl)amino]-6-methoxy-2H-isoquinolin-1-one.

Molecular Properties

Compound Name3-[benzyl(methyl)amino]-6-methoxy-2H-isoquinolin-1-one
PubChem CID70978405
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name3-[benzyl(methyl)amino]-6-methoxy-2H-isoquinolin-1-one
SMILESCOc1ccc2c(=O)[nH]c(N(C)Cc3ccccc3)cc2c1
InChIInChI=1S/C18H18N2O2/c1-20(12-13-6-4-3-5-7-13)17-11-14-10-15(22-2)8-9-16(14)18(21)19-17/h3-11H,12H2,1-2H3,(H,19,21)
InChIKeyNYBDUFHPKCSVKG-UHFFFAOYSA-N
XLogP3.17
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(dimethylamino)-6-methoxy-2H-isoquinolin-1-one
CID 12608911
N-benzyl-1-chloro-6-methoxy-N-methylisoquinolin-3-amine;3-[benzyl(methyl)amino]-6-methoxy-2H-isoquinolin-1-one;benzyl(methyl)cyanamide;1-chloro-3-ethyl-6-methoxyisoquinoline;1-chloro-N-ethyl-6-methoxy-N-methylisoquinolin-3-amine;N-methyl-1-phenylmethanamine
CID 162113604
6-methoxy-3-pentyl-2H-isoquinolin-1-one
CID 67872483
2-[(1R)-1-[(4-methoxyphenyl)methyl-methylamino]ethyl]-3H-quinazolin-4-one
CID 135808076
N-[(3-methoxyphenyl)methyl]-N-methylaniline
CID 66916764
3-methoxy-5H-phenanthridin-6-one
CID 12706603
6-[benzyl(methyl)amino]-1H-quinazoline-2,4-dione
CID 13499296
4-[[benzyl-[(4-methoxyphenyl)methyl]amino]methyl]-6-methoxychromen-2-one
CID 46269046
benzyl-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]azanium
CID 7447354
1-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-N-methylmethanamine
CID 22070460
methane;6-methoxy-2H-isoquinolin-1-one
CID 143675508
2,3,6-trimethoxy-N-[(4-methoxyphenyl)methyl]-N-methylphenanthren-9-amine
CID 11091032

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(methyl)amino]-6-methoxy-2H-isoquinolin-1-one?
The IUPAC name of 3-[benzyl(methyl)amino]-6-methoxy-2H-isoquinolin-1-one (CID 70978405) is 3-[benzyl(methyl)amino]-6-methoxy-2H-isoquinolin-1-one.
What is the SMILES notation for 3-[benzyl(methyl)amino]-6-methoxy-2H-isoquinolin-1-one?
The canonical SMILES for 3-[benzyl(methyl)amino]-6-methoxy-2H-isoquinolin-1-one is COc1ccc2c(=O)[nH]c(N(C)Cc3ccccc3)cc2c1.
What is the InChIKey of 3-[benzyl(methyl)amino]-6-methoxy-2H-isoquinolin-1-one?
The InChIKey is NYBDUFHPKCSVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-20(12-13-6-4-3-5-7-13)17-11-14-10-15(22-2)8-9-16(14)18(21)19-17/h3-11H,12H2,1-2H3,(H,19,21).
What are the key properties of 3-[benzyl(methyl)amino]-6-methoxy-2H-isoquinolin-1-one?
3-[benzyl(methyl)amino]-6-methoxy-2H-isoquinolin-1-one has a molecular weight of 294.35 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(methyl)amino]-6-methoxy-2H-isoquinolin-1-one is sourced from PubChem (CID 70978405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).