ethane;2-methyl-4-(methylamino)isoquinolin-1-one

C13H18N2O — CID 142426348

IUPACethane;2-methyl-4-(methylamino)isoquinolin-1-one
SMILESCC.CNc1cn(C)c(=O)c2ccccc12
InChIInChI=1S/C11H12N2O.C2H6/c1-12-10-7-13(2)11(14)9-6-4-3-5-8(9)10;1-2/h3-7,12H,1-2H3;1-2H3
InChIKeyQZTRLRGFRVWJGJ-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.61
Rot. Bonds1

About ethane;2-methyl-4-(methylamino)isoquinolin-1-one

ethane;2-methyl-4-(methylamino)isoquinolin-1-one (PubChem CID 142426348) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is ethane;2-methyl-4-(methylamino)isoquinolin-1-one.

Molecular Properties

Compound Nameethane;2-methyl-4-(methylamino)isoquinolin-1-one
PubChem CID142426348
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Nameethane;2-methyl-4-(methylamino)isoquinolin-1-one
SMILESCC.CNc1cn(C)c(=O)c2ccccc12
InChIInChI=1S/C11H12N2O.C2H6/c1-12-10-7-13(2)11(14)9-6-4-3-5-8(9)10;1-2/h3-7,12H,1-2H3;1-2H3
InChIKeyQZTRLRGFRVWJGJ-UHFFFAOYSA-N
XLogP2.61
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-4-(methylamino)isoquinolin-1-one?
The IUPAC name of ethane;2-methyl-4-(methylamino)isoquinolin-1-one (CID 142426348) is ethane;2-methyl-4-(methylamino)isoquinolin-1-one.
What is the SMILES notation for ethane;2-methyl-4-(methylamino)isoquinolin-1-one?
The canonical SMILES for ethane;2-methyl-4-(methylamino)isoquinolin-1-one is CC.CNc1cn(C)c(=O)c2ccccc12.
What is the InChIKey of ethane;2-methyl-4-(methylamino)isoquinolin-1-one?
The InChIKey is QZTRLRGFRVWJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O.C2H6/c1-12-10-7-13(2)11(14)9-6-4-3-5-8(9)10;1-2/h3-7,12H,1-2H3;1-2H3.
What are the key properties of ethane;2-methyl-4-(methylamino)isoquinolin-1-one?
ethane;2-methyl-4-(methylamino)isoquinolin-1-one has a molecular weight of 218.30 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-4-(methylamino)isoquinolin-1-one is sourced from PubChem (CID 142426348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).