3-amino-4-[3-(dimethylamino)propanoyl]-7-methyl-2H-isoquinolin-1-one

C15H19N3O2 — CID 10468525

IUPAC3-amino-4-[3-(dimethylamino)propanoyl]-7-methyl-2H-isoquinolin-1-one
SMILESCc1ccc2c(C(=O)CCN(C)C)c(N)[nH]c(=O)c2c1
InChIInChI=1S/C15H19N3O2/c1-9-4-5-10-11(8-9)15(20)17-14(16)13(10)12(19)6-7-18(2)3/h4-5,8H,6-7H2,1-3H3,(H3,16,17,20)
InChIKeyWLCUTEOTQFSUBQ-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.55
Rot. Bonds4

About 3-amino-4-[3-(dimethylamino)propanoyl]-7-methyl-2H-isoquinolin-1-one

3-amino-4-[3-(dimethylamino)propanoyl]-7-methyl-2H-isoquinolin-1-one (PubChem CID 10468525) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-amino-4-[3-(dimethylamino)propanoyl]-7-methyl-2H-isoquinolin-1-one.

Molecular Properties

Compound Name3-amino-4-[3-(dimethylamino)propanoyl]-7-methyl-2H-isoquinolin-1-one
PubChem CID10468525
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name3-amino-4-[3-(dimethylamino)propanoyl]-7-methyl-2H-isoquinolin-1-one
SMILESCc1ccc2c(C(=O)CCN(C)C)c(N)[nH]c(=O)c2c1
InChIInChI=1S/C15H19N3O2/c1-9-4-5-10-11(8-9)15(20)17-14(16)13(10)12(19)6-7-18(2)3/h4-5,8H,6-7H2,1-3H3,(H3,16,17,20)
InChIKeyWLCUTEOTQFSUBQ-UHFFFAOYSA-N
XLogP1.55
TPSA79.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-4-[3-(dimethylamino)propanoyl]-7-methyl-2H-isoquinolin-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 3-amino-4-[3-(dimethylamino)propanoyl]-7-methyl-2H-isoquinolin-1-one?
The IUPAC name of 3-amino-4-[3-(dimethylamino)propanoyl]-7-methyl-2H-isoquinolin-1-one (CID 10468525) is 3-amino-4-[3-(dimethylamino)propanoyl]-7-methyl-2H-isoquinolin-1-one.
What is the SMILES notation for 3-amino-4-[3-(dimethylamino)propanoyl]-7-methyl-2H-isoquinolin-1-one?
The canonical SMILES for 3-amino-4-[3-(dimethylamino)propanoyl]-7-methyl-2H-isoquinolin-1-one is Cc1ccc2c(C(=O)CCN(C)C)c(N)[nH]c(=O)c2c1.
What is the InChIKey of 3-amino-4-[3-(dimethylamino)propanoyl]-7-methyl-2H-isoquinolin-1-one?
The InChIKey is WLCUTEOTQFSUBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-9-4-5-10-11(8-9)15(20)17-14(16)13(10)12(19)6-7-18(2)3/h4-5,8H,6-7H2,1-3H3,(H3,16,17,20).
What are the key properties of 3-amino-4-[3-(dimethylamino)propanoyl]-7-methyl-2H-isoquinolin-1-one?
3-amino-4-[3-(dimethylamino)propanoyl]-7-methyl-2H-isoquinolin-1-one has a molecular weight of 273.34 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[3-(dimethylamino)propanoyl]-7-methyl-2H-isoquinolin-1-one is sourced from PubChem (CID 10468525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).