5-amino-6-methyl-5H-isoquinolin-1-one;ethane

C12H16N2O — CID 123220360

IUPAC5-amino-6-methyl-5H-isoquinolin-1-one;ethane
SMILESCC.CC1=CC=C2C(=O)N=CC=C2C1N
InChIInChI=1S/C10H10N2O.C2H6/c1-6-2-3-8-7(9(6)11)4-5-12-10(8)13;1-2/h2-5,9H,11H2,1H3;1-2H3
InChIKeyWZVJCWDFYINVBQ-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.76
Rot. Bonds

About 5-amino-6-methyl-5H-isoquinolin-1-one;ethane

5-amino-6-methyl-5H-isoquinolin-1-one;ethane (PubChem CID 123220360) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 5-amino-6-methyl-5H-isoquinolin-1-one;ethane.

Molecular Properties

Compound Name5-amino-6-methyl-5H-isoquinolin-1-one;ethane
PubChem CID123220360
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name5-amino-6-methyl-5H-isoquinolin-1-one;ethane
SMILESCC.CC1=CC=C2C(=O)N=CC=C2C1N
InChIInChI=1S/C10H10N2O.C2H6/c1-6-2-3-8-7(9(6)11)4-5-12-10(8)13;1-2/h2-5,9H,11H2,1H3;1-2H3
InChIKeyWZVJCWDFYINVBQ-UHFFFAOYSA-N
XLogP1.76
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-But-1-en-2-yl-5-methyl-4-methylidene-7-methyliminohepta-2,5-dienamide
CID 91029792
6-methyl-5H-isoquinolin-1-one
CID 91415570
ethane;(5Z)-6-imino-5-(2-iminoethylidene)-N,4-dimethylcyclohexa-1,3-diene-1-carboxamide
CID 172307045
5-amino-5H-isoquinolin-1-one
CID 44483312
8-amino-7-methyl-8H-quinazolin-4-one
CID 71304069
5-Amino-1,2-dihydroisoquinolin-1-one hydrochloride
CID 73234855
5-amino-3-methyl-5H-isoquinolin-1-one
CID 75965953
5-amino-6-methyl-5H-isoquinolin-1-one
CID 123220361

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-methyl-5H-isoquinolin-1-one;ethane?
The IUPAC name of 5-amino-6-methyl-5H-isoquinolin-1-one;ethane (CID 123220360) is 5-amino-6-methyl-5H-isoquinolin-1-one;ethane.
What is the SMILES notation for 5-amino-6-methyl-5H-isoquinolin-1-one;ethane?
The canonical SMILES for 5-amino-6-methyl-5H-isoquinolin-1-one;ethane is CC.CC1=CC=C2C(=O)N=CC=C2C1N.
What is the InChIKey of 5-amino-6-methyl-5H-isoquinolin-1-one;ethane?
The InChIKey is WZVJCWDFYINVBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O.C2H6/c1-6-2-3-8-7(9(6)11)4-5-12-10(8)13;1-2/h2-5,9H,11H2,1H3;1-2H3.
What are the key properties of 5-amino-6-methyl-5H-isoquinolin-1-one;ethane?
5-amino-6-methyl-5H-isoquinolin-1-one;ethane has a molecular weight of 204.27 g/mol, XLogP of 1.76, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-methyl-5H-isoquinolin-1-one;ethane is sourced from PubChem (CID 123220360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).