5-amino-3-methyl-5H-isoquinolin-1-one

C10H10N2O — CID 75965953

IUPAC5-amino-3-methyl-5H-isoquinolin-1-one
SMILESCC1=NC(=O)C2=CC=CC(N)C2=C1
InChIInChI=1S/C10H10N2O/c1-6-5-8-7(10(13)12-6)3-2-4-9(8)11/h2-5,9H,11H2,1H3
InChIKeyLBZUJJSSQAOEKB-UHFFFAOYSA-N
MW174.20 g/mol
LogP0.74
Rot. Bonds

About 5-amino-3-methyl-5H-isoquinolin-1-one

5-amino-3-methyl-5H-isoquinolin-1-one (PubChem CID 75965953) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 5-amino-3-methyl-5H-isoquinolin-1-one.

Molecular Properties

Compound Name5-amino-3-methyl-5H-isoquinolin-1-one
PubChem CID75965953
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name5-amino-3-methyl-5H-isoquinolin-1-one
SMILESCC1=NC(=O)C2=CC=CC(N)C2=C1
InChIInChI=1S/C10H10N2O/c1-6-5-8-7(10(13)12-6)3-2-4-9(8)11/h2-5,9H,11H2,1H3
InChIKeyLBZUJJSSQAOEKB-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

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CID 134239626
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5H-isoquinolin-1-one
CID 171035254
3-amino-1-hydroxy-3H-azepin-2-one
CID 70235739
2-methyl-5aH-benzo[g]quinazolin-4-one
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2-methylpyrrolo[2,3-d]pyrimidin-4-one
CID 71773243
2-amino-5-chloro-4aH-quinazolin-4-one
CID 73186122
6-amino-2,5-dimethylcyclohexa-2,4-dien-1-one
CID 22465822
4,6-dimethyl-3H-pyridin-2-one
CID 58991507
(4R)-4H-benzimidazol-4-amine
CID 126421734
2-amino-8-methyl-2,3-dihydropyrido[2,3-d]pyrimidin-4-one;hydrochloride
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3-(aminomethyl)-4-methoxy-6-methyl-3H-pyridin-2-one
CID 130120273

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-methyl-5H-isoquinolin-1-one?
The IUPAC name of 5-amino-3-methyl-5H-isoquinolin-1-one (CID 75965953) is 5-amino-3-methyl-5H-isoquinolin-1-one.
What is the SMILES notation for 5-amino-3-methyl-5H-isoquinolin-1-one?
The canonical SMILES for 5-amino-3-methyl-5H-isoquinolin-1-one is CC1=NC(=O)C2=CC=CC(N)C2=C1.
What is the InChIKey of 5-amino-3-methyl-5H-isoquinolin-1-one?
The InChIKey is LBZUJJSSQAOEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c1-6-5-8-7(10(13)12-6)3-2-4-9(8)11/h2-5,9H,11H2,1H3.
What are the key properties of 5-amino-3-methyl-5H-isoquinolin-1-one?
5-amino-3-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-3-methyl-5H-isoquinolin-1-one is sourced from PubChem (CID 75965953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).