2-methyl-4-(4-methylpiperazine-1-carbonyl)isoquinolin-1-one

C16H19N3O2 — CID 3073398

IUPAC2-methyl-4-(4-methylpiperazine-1-carbonyl)isoquinolin-1-one
SMILESCN1CCN(C(=O)c2cn(C)c(=O)c3ccccc23)CC1
InChIInChI=1S/C16H19N3O2/c1-17-7-9-19(10-8-17)16(21)14-11-18(2)15(20)13-6-4-3-5-12(13)14/h3-6,11H,7-10H2,1-2H3
InChIKeyQOOOQAHHIYTIIB-UHFFFAOYSA-N
MW285.35 g/mol
LogP0.93
Rot. Bonds1

About 2-methyl-4-(4-methylpiperazine-1-carbonyl)isoquinolin-1-one

2-methyl-4-(4-methylpiperazine-1-carbonyl)isoquinolin-1-one (PubChem CID 3073398) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-methyl-4-(4-methylpiperazine-1-carbonyl)isoquinolin-1-one.

Molecular Properties

Compound Name2-methyl-4-(4-methylpiperazine-1-carbonyl)isoquinolin-1-one
PubChem CID3073398
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name2-methyl-4-(4-methylpiperazine-1-carbonyl)isoquinolin-1-one
SMILESCN1CCN(C(=O)c2cn(C)c(=O)c3ccccc23)CC1
InChIInChI=1S/C16H19N3O2/c1-17-7-9-19(10-8-17)16(21)14-11-18(2)15(20)13-6-4-3-5-12(13)14/h3-6,11H,7-10H2,1-2H3
InChIKeyQOOOQAHHIYTIIB-UHFFFAOYSA-N
XLogP0.93
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(4-methylpiperazine-1-carbonyl)isoquinolin-1-one?
The IUPAC name of 2-methyl-4-(4-methylpiperazine-1-carbonyl)isoquinolin-1-one (CID 3073398) is 2-methyl-4-(4-methylpiperazine-1-carbonyl)isoquinolin-1-one.
What is the SMILES notation for 2-methyl-4-(4-methylpiperazine-1-carbonyl)isoquinolin-1-one?
The canonical SMILES for 2-methyl-4-(4-methylpiperazine-1-carbonyl)isoquinolin-1-one is CN1CCN(C(=O)c2cn(C)c(=O)c3ccccc23)CC1.
What is the InChIKey of 2-methyl-4-(4-methylpiperazine-1-carbonyl)isoquinolin-1-one?
The InChIKey is QOOOQAHHIYTIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-17-7-9-19(10-8-17)16(21)14-11-18(2)15(20)13-6-4-3-5-12(13)14/h3-6,11H,7-10H2,1-2H3.
What are the key properties of 2-methyl-4-(4-methylpiperazine-1-carbonyl)isoquinolin-1-one?
2-methyl-4-(4-methylpiperazine-1-carbonyl)isoquinolin-1-one has a molecular weight of 285.35 g/mol, XLogP of 0.93, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(4-methylpiperazine-1-carbonyl)isoquinolin-1-one is sourced from PubChem (CID 3073398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).