1-amino-7,8-dimethyl-4H-isoquinolin-3-one

C11H12N2O — CID 58429267

IUPAC1-amino-7,8-dimethyl-4H-isoquinolin-3-one
SMILESCc1ccc2c(c1C)C(N)=NC(=O)C2
InChIInChI=1S/C11H12N2O/c1-6-3-4-8-5-9(14)13-11(12)10(8)7(6)2/h3-4H,5H2,1-2H3,(H2,12,13,14)
InChIKeyKPCZBZVYKFTXIV-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.09
Rot. Bonds

About 1-amino-7,8-dimethyl-4H-isoquinolin-3-one

1-amino-7,8-dimethyl-4H-isoquinolin-3-one (PubChem CID 58429267) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 1-amino-7,8-dimethyl-4H-isoquinolin-3-one.

Molecular Properties

Compound Name1-amino-7,8-dimethyl-4H-isoquinolin-3-one
PubChem CID58429267
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name1-amino-7,8-dimethyl-4H-isoquinolin-3-one
SMILESCc1ccc2c(c1C)C(N)=NC(=O)C2
InChIInChI=1S/C11H12N2O/c1-6-3-4-8-5-9(14)13-11(12)10(8)7(6)2/h3-4H,5H2,1-2H3,(H2,12,13,14)
InChIKeyKPCZBZVYKFTXIV-UHFFFAOYSA-N
XLogP1.09
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-8-methyl-4H-isoquinolin-3-one
CID 58429704
1-amino-7-methoxy-4H-isoquinolin-3-one
CID 58443117
2-amino-6,7-dimethyl-3H-indene-1-carbonitrile
CID 151420782
1-amino-8-cyclopentyloxy-4H-isoquinolin-3-one
CID 58429500
1,2,4-trimethyl-3-(2,3,6-trimethylphenyl)benzene
CID 22967951
4-amino-2-methoxy-3-methyl-7H-thieno[3,2-c]pyridin-6-one
CID 58429449
3-imino-6,7-dimethylisoindol-1-amine
CID 22764099
4,5,18,19-tetramethyl-4-azoniapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene
CID 161249162
3,4-dimethyl-11H-benzo[b]fluorene
CID 159162608
ruthenium;1,2,3,4-tetramethylbenzene
CID 158325243
1-ethyl-6,7-dimethyl-3H-indol-2-one
CID 14003261
methyl (2R)-4,5-dimethyl-3-oxo-1,2-dihydroindene-2-carboxylate
CID 640509

Frequently Asked Questions

What is the IUPAC name of 1-amino-7,8-dimethyl-4H-isoquinolin-3-one?
The IUPAC name of 1-amino-7,8-dimethyl-4H-isoquinolin-3-one (CID 58429267) is 1-amino-7,8-dimethyl-4H-isoquinolin-3-one.
What is the SMILES notation for 1-amino-7,8-dimethyl-4H-isoquinolin-3-one?
The canonical SMILES for 1-amino-7,8-dimethyl-4H-isoquinolin-3-one is Cc1ccc2c(c1C)C(N)=NC(=O)C2.
What is the InChIKey of 1-amino-7,8-dimethyl-4H-isoquinolin-3-one?
The InChIKey is KPCZBZVYKFTXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-6-3-4-8-5-9(14)13-11(12)10(8)7(6)2/h3-4H,5H2,1-2H3,(H2,12,13,14).
What are the key properties of 1-amino-7,8-dimethyl-4H-isoquinolin-3-one?
1-amino-7,8-dimethyl-4H-isoquinolin-3-one has a molecular weight of 188.23 g/mol, XLogP of 1.09, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-7,8-dimethyl-4H-isoquinolin-3-one is sourced from PubChem (CID 58429267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).