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

C10H10N2O — CID 123220361

IUPAC5-amino-6-methyl-5H-isoquinolin-1-one
SMILESCC1=CC=C2C(=O)N=CC=C2C1N
InChIInChI=1S/C10H10N2O/c1-6-2-3-8-7(9(6)11)4-5-12-10(8)13/h2-5,9H,11H2,1H3
InChIKeyKUYWYPGOSUZJLJ-UHFFFAOYSA-N
MW174.20 g/mol
LogP0.74
Rot. Bonds

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

5-amino-6-methyl-5H-isoquinolin-1-one (PubChem CID 123220361) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 5-amino-6-methyl-5H-isoquinolin-1-one.

Molecular Properties

Compound Name5-amino-6-methyl-5H-isoquinolin-1-one
PubChem CID123220361
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name5-amino-6-methyl-5H-isoquinolin-1-one
SMILESCC1=CC=C2C(=O)N=CC=C2C1N
InChIInChI=1S/C10H10N2O/c1-6-2-3-8-7(9(6)11)4-5-12-10(8)13/h2-5,9H,11H2,1H3
InChIKeyKUYWYPGOSUZJLJ-UHFFFAOYSA-N
XLogP0.74
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-methyl-5-nitro-5H-isoquinolin-1-one
CID 71303986
2-But-1-en-2-yl-5-methyl-4-methylidene-7-methyliminohepta-2,5-dienamide
CID 91029792
ethane;6-methyl-5-nitro-5H-isoquinolin-1-one
CID 91111835
6-methyl-5H-isoquinolin-1-one
CID 91415570
5-amino-6-methyl-5H-isoquinolin-1-one;ethane
CID 123220360
ethane;5-iodo-6-methyl-5H-isoquinolin-1-one
CID 123370277
2-propyl-2H-pyrrole-3-carboxamide
CID 142051090
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-iodo-6-methyl-5H-isoquinolin-1-one
CID 123370278

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-methyl-5H-isoquinolin-1-one?
The IUPAC name of 5-amino-6-methyl-5H-isoquinolin-1-one (CID 123220361) is 5-amino-6-methyl-5H-isoquinolin-1-one.
What is the SMILES notation for 5-amino-6-methyl-5H-isoquinolin-1-one?
The canonical SMILES for 5-amino-6-methyl-5H-isoquinolin-1-one is CC1=CC=C2C(=O)N=CC=C2C1N.
What is the InChIKey of 5-amino-6-methyl-5H-isoquinolin-1-one?
The InChIKey is KUYWYPGOSUZJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c1-6-2-3-8-7(9(6)11)4-5-12-10(8)13/h2-5,9H,11H2,1H3.
What are the key properties of 5-amino-6-methyl-5H-isoquinolin-1-one?
5-amino-6-methyl-5H-isoquinolin-1-one has a molecular weight of 174.20 g/mol, XLogP of 0.74, 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 is sourced from PubChem (CID 123220361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).