2-(5,6-dimethoxy-1-oxoisoquinolin-2-yl)-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide

C19H21N3O5 — CID 72858898

IUPAC2-(5,6-dimethoxy-1-oxoisoquinolin-2-yl)-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide
SMILESCOc1ccc2c(=O)n(CC(=O)N(C)Cc3cc(C)no3)ccc2c1OC
InChIInChI=1S/C19H21N3O5/c1-12-9-13(27-20-12)10-21(2)17(23)11-22-8-7-14-15(19(22)24)5-6-16(25-3)18(14)26-4/h5-9H,10-11H2,1-4H3
InChIKeyJBVOUIRQRJBGCQ-UHFFFAOYSA-N
MW371.39 g/mol
LogP1.97
Rot. Bonds6

About 2-(5,6-dimethoxy-1-oxoisoquinolin-2-yl)-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide

2-(5,6-dimethoxy-1-oxoisoquinolin-2-yl)-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide (PubChem CID 72858898) has the molecular formula C19H21N3O5 and a molecular weight of 371.39 g/mol. Its IUPAC name is 2-(5,6-dimethoxy-1-oxoisoquinolin-2-yl)-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(5,6-dimethoxy-1-oxoisoquinolin-2-yl)-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide
PubChem CID72858898
Molecular FormulaC19H21N3O5
Molecular Weight371.39 g/mol
Exact Mass371.15
IUPAC Name2-(5,6-dimethoxy-1-oxoisoquinolin-2-yl)-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide
SMILESCOc1ccc2c(=O)n(CC(=O)N(C)Cc3cc(C)no3)ccc2c1OC
InChIInChI=1S/C19H21N3O5/c1-12-9-13(27-20-12)10-21(2)17(23)11-22-8-7-14-15(19(22)24)5-6-16(25-3)18(14)26-4/h5-9H,10-11H2,1-4H3
InChIKeyJBVOUIRQRJBGCQ-UHFFFAOYSA-N
XLogP1.97
TPSA86.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethoxy-1-oxoisoquinolin-2-yl)-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide?
The IUPAC name of 2-(5,6-dimethoxy-1-oxoisoquinolin-2-yl)-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide (CID 72858898) is 2-(5,6-dimethoxy-1-oxoisoquinolin-2-yl)-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-(5,6-dimethoxy-1-oxoisoquinolin-2-yl)-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-(5,6-dimethoxy-1-oxoisoquinolin-2-yl)-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide is COc1ccc2c(=O)n(CC(=O)N(C)Cc3cc(C)no3)ccc2c1OC.
What is the InChIKey of 2-(5,6-dimethoxy-1-oxoisoquinolin-2-yl)-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide?
The InChIKey is JBVOUIRQRJBGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5/c1-12-9-13(27-20-12)10-21(2)17(23)11-22-8-7-14-15(19(22)24)5-6-16(25-3)18(14)26-4/h5-9H,10-11H2,1-4H3.
What are the key properties of 2-(5,6-dimethoxy-1-oxoisoquinolin-2-yl)-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide?
2-(5,6-dimethoxy-1-oxoisoquinolin-2-yl)-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide has a molecular weight of 371.39 g/mol, XLogP of 1.97, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethoxy-1-oxoisoquinolin-2-yl)-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide is sourced from PubChem (CID 72858898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).