1-amino-8-methyl-4H-isoquinolin-3-one

C10H10N2O — CID 58429704

IUPAC1-amino-8-methyl-4H-isoquinolin-3-one
SMILESCc1cccc2c1C(N)=NC(=O)C2
InChIInChI=1S/C10H10N2O/c1-6-3-2-4-7-5-8(13)12-10(11)9(6)7/h2-4H,5H2,1H3,(H2,11,12,13)
InChIKeyCYUQLEFUHOVUDB-UHFFFAOYSA-N
MW174.20 g/mol
LogP0.78
Rot. Bonds

About 1-amino-8-methyl-4H-isoquinolin-3-one

1-amino-8-methyl-4H-isoquinolin-3-one (PubChem CID 58429704) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 1-amino-8-methyl-4H-isoquinolin-3-one.

Molecular Properties

Compound Name1-amino-8-methyl-4H-isoquinolin-3-one
PubChem CID58429704
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name1-amino-8-methyl-4H-isoquinolin-3-one
SMILESCc1cccc2c1C(N)=NC(=O)C2
InChIInChI=1S/C10H10N2O/c1-6-3-2-4-7-5-8(13)12-10(11)9(6)7/h2-4H,5H2,1H3,(H2,11,12,13)
InChIKeyCYUQLEFUHOVUDB-UHFFFAOYSA-N
XLogP0.78
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 ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-7,8-dimethyl-4H-isoquinolin-3-one
CID 58429267
1-amino-8-prop-2-enyl-4H-isoquinolin-3-one
CID 58429712
1-amino-8-cyclopentyloxy-4H-isoquinolin-3-one
CID 58429500
4,5-dimethyl-9H-fluorene
CID 14389533
4-fluoro-5-methyl-9H-fluorene
CID 23235354
8-chloro-3-methylidene-4H-isoquinolin-1-amine
CID 58429555
3,4,9-trimethyl-5H-indeno[1,2-b]pyridine
CID 157341185
1,3,4,5-tetramethyl-9H-fluorene
CID 158222365
2,4-dimethylindol-3-one
CID 174443147
2-(2,7-dimethyl-3H-inden-1-yl)acetic acid
CID 175914282
4-amino-2-methoxy-3-methyl-7H-thieno[3,2-c]pyridin-6-one
CID 58429449
3-methoxy-5-methyl-9H-fluorene
CID 14977721

Frequently Asked Questions

What is the IUPAC name of 1-amino-8-methyl-4H-isoquinolin-3-one?
The IUPAC name of 1-amino-8-methyl-4H-isoquinolin-3-one (CID 58429704) is 1-amino-8-methyl-4H-isoquinolin-3-one.
What is the SMILES notation for 1-amino-8-methyl-4H-isoquinolin-3-one?
The canonical SMILES for 1-amino-8-methyl-4H-isoquinolin-3-one is Cc1cccc2c1C(N)=NC(=O)C2.
What is the InChIKey of 1-amino-8-methyl-4H-isoquinolin-3-one?
The InChIKey is CYUQLEFUHOVUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c1-6-3-2-4-7-5-8(13)12-10(11)9(6)7/h2-4H,5H2,1H3,(H2,11,12,13).
What are the key properties of 1-amino-8-methyl-4H-isoquinolin-3-one?
1-amino-8-methyl-4H-isoquinolin-3-one has a molecular weight of 174.20 g/mol, XLogP of 0.78, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-8-methyl-4H-isoquinolin-3-one is sourced from PubChem (CID 58429704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).