2-(5,6-dimethoxy-1-oxoisoquinolin-2-yl)-N-methyl-N-[[(2S)-oxan-2-yl]methyl]acetamide

C20H26N2O5 — CID 97281790

IUPAC2-(5,6-dimethoxy-1-oxoisoquinolin-2-yl)-N-methyl-N-[[(2S)-oxan-2-yl]methyl]acetamide
SMILESCOc1ccc2c(=O)n(CC(=O)N(C)C[C@@H]3CCCCO3)ccc2c1OC
InChIInChI=1S/C20H26N2O5/c1-21(12-14-6-4-5-11-27-14)18(23)13-22-10-9-15-16(20(22)24)7-8-17(25-2)19(15)26-3/h7-10,14H,4-6,11-13H2,1-3H3/t14-/m0/s1
InChIKeyRJBZSDQQIMMXDO-AWEZNQCLSA-N
MW374.44 g/mol
LogP2.05
Rot. Bonds6

About 2-(5,6-dimethoxy-1-oxoisoquinolin-2-yl)-N-methyl-N-[[(2S)-oxan-2-yl]methyl]acetamide

2-(5,6-dimethoxy-1-oxoisoquinolin-2-yl)-N-methyl-N-[[(2S)-oxan-2-yl]methyl]acetamide (PubChem CID 97281790) has the molecular formula C20H26N2O5 and a molecular weight of 374.44 g/mol. Its IUPAC name is 2-(5,6-dimethoxy-1-oxoisoquinolin-2-yl)-N-methyl-N-[[(2S)-oxan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(5,6-dimethoxy-1-oxoisoquinolin-2-yl)-N-methyl-N-[[(2S)-oxan-2-yl]methyl]acetamide
PubChem CID97281790
Molecular FormulaC20H26N2O5
Molecular Weight374.44 g/mol
Exact Mass374.18
IUPAC Name2-(5,6-dimethoxy-1-oxoisoquinolin-2-yl)-N-methyl-N-[[(2S)-oxan-2-yl]methyl]acetamide
SMILESCOc1ccc2c(=O)n(CC(=O)N(C)C[C@@H]3CCCCO3)ccc2c1OC
InChIInChI=1S/C20H26N2O5/c1-21(12-14-6-4-5-11-27-14)18(23)13-22-10-9-15-16(20(22)24)7-8-17(25-2)19(15)26-3/h7-10,14H,4-6,11-13H2,1-3H3/t14-/m0/s1
InChIKeyRJBZSDQQIMMXDO-AWEZNQCLSA-N
XLogP2.05
TPSA70.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(5,6-dimethoxy-1-oxoisoquinolin-2-yl)-N-methyl-N-[[(2S)-oxan-2-yl]methyl]acetamide with MolForge

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Related Compounds

2-(3-methoxy-2-oxo-1-pyridinyl)-N-methyl-N-[[(2R)-oxan-2-yl]methyl]acetamide
CID 97280486
N-methyl-N-(oxan-2-ylmethyl)-2-(1-oxoisoquinolin-2-yl)acetamide
CID 72938624
2-(5,6-dimethoxy-1-oxoisoquinolin-2-yl)-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide
CID 72858898
2-(1,4-dioxan-2-ylmethyl)-5,6-dimethoxyisoquinolin-1-one
CID 72842734
2-[[(2S)-1,4-dioxan-2-yl]methyl]-5,6-dimethoxyisoquinolin-1-one
CID 97187821
N-benzyl-2-(1-oxoisoquinolin-2-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 72851148
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-methyl-N-[[(2R)-oxan-2-yl]methyl]acetamide
CID 126445754
(3S)-1-[2-(5,6-dimethoxy-1-oxoisoquinolin-2-yl)acetyl]piperidine-3-carbonitrile
CID 97277143
2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-methyl-N-[[(2S)-oxan-2-yl]methyl]acetamide
CID 97277530
4-methoxy-N-methyl-N-(oxan-2-ylmethyl)-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide
CID 45194364
4-amino-N-methyl-N-(oxan-2-ylmethyl)benzamide;hydrochloride
CID 119746333
1-(3-chloro-4-methoxyphenyl)-2-[methyl(oxan-2-ylmethyl)amino]ethanone
CID 61432505

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethoxy-1-oxoisoquinolin-2-yl)-N-methyl-N-[[(2S)-oxan-2-yl]methyl]acetamide?
The IUPAC name of 2-(5,6-dimethoxy-1-oxoisoquinolin-2-yl)-N-methyl-N-[[(2S)-oxan-2-yl]methyl]acetamide (CID 97281790) is 2-(5,6-dimethoxy-1-oxoisoquinolin-2-yl)-N-methyl-N-[[(2S)-oxan-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(5,6-dimethoxy-1-oxoisoquinolin-2-yl)-N-methyl-N-[[(2S)-oxan-2-yl]methyl]acetamide?
The canonical SMILES for 2-(5,6-dimethoxy-1-oxoisoquinolin-2-yl)-N-methyl-N-[[(2S)-oxan-2-yl]methyl]acetamide is COc1ccc2c(=O)n(CC(=O)N(C)C[C@@H]3CCCCO3)ccc2c1OC.
What is the InChIKey of 2-(5,6-dimethoxy-1-oxoisoquinolin-2-yl)-N-methyl-N-[[(2S)-oxan-2-yl]methyl]acetamide?
The InChIKey is RJBZSDQQIMMXDO-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H26N2O5/c1-21(12-14-6-4-5-11-27-14)18(23)13-22-10-9-15-16(20(22)24)7-8-17(25-2)19(15)26-3/h7-10,14H,4-6,11-13H2,1-3H3/t14-/m0/s1.
What are the key properties of 2-(5,6-dimethoxy-1-oxoisoquinolin-2-yl)-N-methyl-N-[[(2S)-oxan-2-yl]methyl]acetamide?
2-(5,6-dimethoxy-1-oxoisoquinolin-2-yl)-N-methyl-N-[[(2S)-oxan-2-yl]methyl]acetamide has a molecular weight of 374.44 g/mol, XLogP of 2.05, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethoxy-1-oxoisoquinolin-2-yl)-N-methyl-N-[[(2S)-oxan-2-yl]methyl]acetamide is sourced from PubChem (CID 97281790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).