N-(5-chloropyrimidin-2-yl)-2-(6-methyl-1-oxo-3,4-dihydroisoquinolin-2-yl)acetamide;ethane

C18H21ClN4O2 — CID 169212369

IUPACN-(5-chloropyrimidin-2-yl)-2-(6-methyl-1-oxo-3,4-dihydroisoquinolin-2-yl)acetamide;ethane
SMILESCC.Cc1ccc2c(c1)CCN(CC(=O)Nc1ncc(Cl)cn1)C2=O
InChIInChI=1S/C16H15ClN4O2.C2H6/c1-10-2-3-13-11(6-10)4-5-21(15(13)23)9-14(22)20-16-18-7-12(17)8-19-16;1-2/h2-3,6-8H,4-5,9H2,1H3,(H,18,19,20,22);1-2H3
InChIKeyOQITWADTEOQACS-UHFFFAOYSA-N
MW360.85 g/mol
LogP3.10
Rot. Bonds3

About N-(5-chloropyrimidin-2-yl)-2-(6-methyl-1-oxo-3,4-dihydroisoquinolin-2-yl)acetamide;ethane

N-(5-chloropyrimidin-2-yl)-2-(6-methyl-1-oxo-3,4-dihydroisoquinolin-2-yl)acetamide;ethane (PubChem CID 169212369) has the molecular formula C18H21ClN4O2 and a molecular weight of 360.85 g/mol. Its IUPAC name is N-(5-chloropyrimidin-2-yl)-2-(6-methyl-1-oxo-3,4-dihydroisoquinolin-2-yl)acetamide;ethane.

Molecular Properties

Compound NameN-(5-chloropyrimidin-2-yl)-2-(6-methyl-1-oxo-3,4-dihydroisoquinolin-2-yl)acetamide;ethane
PubChem CID169212369
Molecular FormulaC18H21ClN4O2
Molecular Weight360.85 g/mol
Exact Mass360.14
IUPAC NameN-(5-chloropyrimidin-2-yl)-2-(6-methyl-1-oxo-3,4-dihydroisoquinolin-2-yl)acetamide;ethane
SMILESCC.Cc1ccc2c(c1)CCN(CC(=O)Nc1ncc(Cl)cn1)C2=O
InChIInChI=1S/C16H15ClN4O2.C2H6/c1-10-2-3-13-11(6-10)4-5-21(15(13)23)9-14(22)20-16-18-7-12(17)8-19-16;1-2/h2-3,6-8H,4-5,9H2,1H3,(H,18,19,20,22);1-2H3
InChIKeyOQITWADTEOQACS-UHFFFAOYSA-N
XLogP3.10
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.85
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(5-chloropyrimidin-2-yl)-2-(6-methyl-1-oxo-3,4-dihydroisoquinolin-2-yl)acetamide;ethane 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 N-(5-chloropyrimidin-2-yl)-2-(6-methyl-1-oxo-3,4-dihydroisoquinolin-2-yl)acetamide;ethane?
The IUPAC name of N-(5-chloropyrimidin-2-yl)-2-(6-methyl-1-oxo-3,4-dihydroisoquinolin-2-yl)acetamide;ethane (CID 169212369) is N-(5-chloropyrimidin-2-yl)-2-(6-methyl-1-oxo-3,4-dihydroisoquinolin-2-yl)acetamide;ethane.
What is the SMILES notation for N-(5-chloropyrimidin-2-yl)-2-(6-methyl-1-oxo-3,4-dihydroisoquinolin-2-yl)acetamide;ethane?
The canonical SMILES for N-(5-chloropyrimidin-2-yl)-2-(6-methyl-1-oxo-3,4-dihydroisoquinolin-2-yl)acetamide;ethane is CC.Cc1ccc2c(c1)CCN(CC(=O)Nc1ncc(Cl)cn1)C2=O.
What is the InChIKey of N-(5-chloropyrimidin-2-yl)-2-(6-methyl-1-oxo-3,4-dihydroisoquinolin-2-yl)acetamide;ethane?
The InChIKey is OQITWADTEOQACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O2.C2H6/c1-10-2-3-13-11(6-10)4-5-21(15(13)23)9-14(22)20-16-18-7-12(17)8-19-16;1-2/h2-3,6-8H,4-5,9H2,1H3,(H,18,19,20,22);1-2H3.
What are the key properties of N-(5-chloropyrimidin-2-yl)-2-(6-methyl-1-oxo-3,4-dihydroisoquinolin-2-yl)acetamide;ethane?
N-(5-chloropyrimidin-2-yl)-2-(6-methyl-1-oxo-3,4-dihydroisoquinolin-2-yl)acetamide;ethane has a molecular weight of 360.85 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloropyrimidin-2-yl)-2-(6-methyl-1-oxo-3,4-dihydroisoquinolin-2-yl)acetamide;ethane is sourced from PubChem (CID 169212369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).