2-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]-2-oxoethyl]-5,6-dimethoxyisoquinolin-1-one

C19H23N3O5 — CID 97270516

IUPAC2-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]-2-oxoethyl]-5,6-dimethoxyisoquinolin-1-one
SMILESCOc1ccc2c(=O)n(CC(=O)N3CCN(C)C(=O)[C@H]3C)ccc2c1OC
InChIInChI=1S/C19H23N3O5/c1-12-18(24)20(2)9-10-22(12)16(23)11-21-8-7-13-14(19(21)25)5-6-15(26-3)17(13)27-4/h5-8,12H,9-11H2,1-4H3/t12-/m1/s1
InChIKeyFNZISRZVLKYTCS-GFCCVEGCSA-N
MW373.41 g/mol
LogP0.71
Rot. Bonds4

About 2-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]-2-oxoethyl]-5,6-dimethoxyisoquinolin-1-one

2-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]-2-oxoethyl]-5,6-dimethoxyisoquinolin-1-one (PubChem CID 97270516) has the molecular formula C19H23N3O5 and a molecular weight of 373.41 g/mol. Its IUPAC name is 2-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]-2-oxoethyl]-5,6-dimethoxyisoquinolin-1-one.

Molecular Properties

Compound Name2-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]-2-oxoethyl]-5,6-dimethoxyisoquinolin-1-one
PubChem CID97270516
Molecular FormulaC19H23N3O5
Molecular Weight373.41 g/mol
Exact Mass373.16
IUPAC Name2-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]-2-oxoethyl]-5,6-dimethoxyisoquinolin-1-one
SMILESCOc1ccc2c(=O)n(CC(=O)N3CCN(C)C(=O)[C@H]3C)ccc2c1OC
InChIInChI=1S/C19H23N3O5/c1-12-18(24)20(2)9-10-22(12)16(23)11-21-8-7-13-14(19(21)25)5-6-15(26-3)17(13)27-4/h5-8,12H,9-11H2,1-4H3/t12-/m1/s1
InChIKeyFNZISRZVLKYTCS-GFCCVEGCSA-N
XLogP0.71
TPSA81.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]-2-oxoethyl]-5,6-dimethoxyisoquinolin-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]-2-oxoethyl]-5,6-dimethoxyisoquinolin-1-one?
The IUPAC name of 2-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]-2-oxoethyl]-5,6-dimethoxyisoquinolin-1-one (CID 97270516) is 2-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]-2-oxoethyl]-5,6-dimethoxyisoquinolin-1-one.
What is the SMILES notation for 2-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]-2-oxoethyl]-5,6-dimethoxyisoquinolin-1-one?
The canonical SMILES for 2-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]-2-oxoethyl]-5,6-dimethoxyisoquinolin-1-one is COc1ccc2c(=O)n(CC(=O)N3CCN(C)C(=O)[C@H]3C)ccc2c1OC.
What is the InChIKey of 2-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]-2-oxoethyl]-5,6-dimethoxyisoquinolin-1-one?
The InChIKey is FNZISRZVLKYTCS-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H23N3O5/c1-12-18(24)20(2)9-10-22(12)16(23)11-21-8-7-13-14(19(21)25)5-6-15(26-3)17(13)27-4/h5-8,12H,9-11H2,1-4H3/t12-/m1/s1.
What are the key properties of 2-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]-2-oxoethyl]-5,6-dimethoxyisoquinolin-1-one?
2-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]-2-oxoethyl]-5,6-dimethoxyisoquinolin-1-one has a molecular weight of 373.41 g/mol, XLogP of 0.71, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]-2-oxoethyl]-5,6-dimethoxyisoquinolin-1-one is sourced from PubChem (CID 97270516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).