1-methyl-2-(4-methylpiperazine-1-carbonyl)-4H-pyrrolo[3,2-c]isoquinolin-5-one

C18H20N4O2 — CID 90644176

IUPAC1-methyl-2-(4-methylpiperazine-1-carbonyl)-4H-pyrrolo[3,2-c]isoquinolin-5-one
SMILESCN1CCN(C(=O)c2cc3[nH]c(=O)c4ccccc4c3n2C)CC1
InChIInChI=1S/C18H20N4O2/c1-20-7-9-22(10-8-20)18(24)15-11-14-16(21(15)2)12-5-3-4-6-13(12)17(23)19-14/h3-6,11H,7-10H2,1-2H3,(H,19,23)
InChIKeyZGXIQNQONGNSAD-UHFFFAOYSA-N
MW324.38 g/mol
LogP1.41
Rot. Bonds1

About 1-methyl-2-(4-methylpiperazine-1-carbonyl)-4H-pyrrolo[3,2-c]isoquinolin-5-one

1-methyl-2-(4-methylpiperazine-1-carbonyl)-4H-pyrrolo[3,2-c]isoquinolin-5-one (PubChem CID 90644176) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 1-methyl-2-(4-methylpiperazine-1-carbonyl)-4H-pyrrolo[3,2-c]isoquinolin-5-one.

Molecular Properties

Compound Name1-methyl-2-(4-methylpiperazine-1-carbonyl)-4H-pyrrolo[3,2-c]isoquinolin-5-one
PubChem CID90644176
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name1-methyl-2-(4-methylpiperazine-1-carbonyl)-4H-pyrrolo[3,2-c]isoquinolin-5-one
SMILESCN1CCN(C(=O)c2cc3[nH]c(=O)c4ccccc4c3n2C)CC1
InChIInChI=1S/C18H20N4O2/c1-20-7-9-22(10-8-20)18(24)15-11-14-16(21(15)2)12-5-3-4-6-13(12)17(23)19-14/h3-6,11H,7-10H2,1-2H3,(H,19,23)
InChIKeyZGXIQNQONGNSAD-UHFFFAOYSA-N
XLogP1.41
TPSA61.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-methyl-2-(4-methylpiperazine-1-carbonyl)-4H-pyrrolo[3,2-c]isoquinolin-5-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 1-methyl-2-(4-methylpiperazine-1-carbonyl)-4H-pyrrolo[3,2-c]isoquinolin-5-one?
The IUPAC name of 1-methyl-2-(4-methylpiperazine-1-carbonyl)-4H-pyrrolo[3,2-c]isoquinolin-5-one (CID 90644176) is 1-methyl-2-(4-methylpiperazine-1-carbonyl)-4H-pyrrolo[3,2-c]isoquinolin-5-one.
What is the SMILES notation for 1-methyl-2-(4-methylpiperazine-1-carbonyl)-4H-pyrrolo[3,2-c]isoquinolin-5-one?
The canonical SMILES for 1-methyl-2-(4-methylpiperazine-1-carbonyl)-4H-pyrrolo[3,2-c]isoquinolin-5-one is CN1CCN(C(=O)c2cc3[nH]c(=O)c4ccccc4c3n2C)CC1.
What is the InChIKey of 1-methyl-2-(4-methylpiperazine-1-carbonyl)-4H-pyrrolo[3,2-c]isoquinolin-5-one?
The InChIKey is ZGXIQNQONGNSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-20-7-9-22(10-8-20)18(24)15-11-14-16(21(15)2)12-5-3-4-6-13(12)17(23)19-14/h3-6,11H,7-10H2,1-2H3,(H,19,23).
What are the key properties of 1-methyl-2-(4-methylpiperazine-1-carbonyl)-4H-pyrrolo[3,2-c]isoquinolin-5-one?
1-methyl-2-(4-methylpiperazine-1-carbonyl)-4H-pyrrolo[3,2-c]isoquinolin-5-one has a molecular weight of 324.38 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(4-methylpiperazine-1-carbonyl)-4H-pyrrolo[3,2-c]isoquinolin-5-one is sourced from PubChem (CID 90644176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).