4-amino-7-methyl-2H-isoquinolin-1-one

C10H10N2O — CID 84654886

IUPAC4-amino-7-methyl-2H-isoquinolin-1-one
SMILESCc1ccc2c(N)c[nH]c(=O)c2c1
InChIInChI=1S/C10H10N2O/c1-6-2-3-7-8(4-6)10(13)12-5-9(7)11/h2-5H,11H2,1H3,(H,12,13)
InChIKeyBSAVSDOIGZXLHB-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.42
Rot. Bonds

About 4-amino-7-methyl-2H-isoquinolin-1-one

4-amino-7-methyl-2H-isoquinolin-1-one (PubChem CID 84654886) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 4-amino-7-methyl-2H-isoquinolin-1-one.

Molecular Properties

Compound Name4-amino-7-methyl-2H-isoquinolin-1-one
PubChem CID84654886
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name4-amino-7-methyl-2H-isoquinolin-1-one
SMILESCc1ccc2c(N)c[nH]c(=O)c2c1
InChIInChI=1S/C10H10N2O/c1-6-2-3-7-8(4-6)10(13)12-5-9(7)11/h2-5H,11H2,1H3,(H,12,13)
InChIKeyBSAVSDOIGZXLHB-UHFFFAOYSA-N
XLogP1.42
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-7-fluoro-2H-isoquinolin-1-one
CID 84656321
7-methyl-1-oxo-2H-isoquinoline-4-carbonitrile
CID 84659509
4-chloro-2H-isoquinolin-1-one;4-chloro-7-methyl-2H-isoquinolin-1-one
CID 157483481
3-amino-5-(4-methylphenyl)-1H-pyridin-2-one
CID 82076397
ethane;6-methyl-2H-isoquinolin-1-one
CID 142940504
7-amino-4-tert-butyl-2H-isoquinolin-1-one
CID 115063559
3-amino-5-methyl-1,6-dihydropyrrolo[2,3-c]pyridin-7-one
CID 175998206
4-(aminomethyl)-7-methyl-2H-phthalazin-1-one
CID 156651115
ethane;7-methyl-3H-quinazolin-4-one
CID 143636831
8-methyl-5H-phenanthridin-6-one
CID 102200304
6-amino-4-ethyl-2H-isoquinolin-1-one
CID 115063533
4-methyl-1-oxo-2H-isoquinoline-7-carboxylic acid
CID 115063547

Frequently Asked Questions

What is the IUPAC name of 4-amino-7-methyl-2H-isoquinolin-1-one?
The IUPAC name of 4-amino-7-methyl-2H-isoquinolin-1-one (CID 84654886) is 4-amino-7-methyl-2H-isoquinolin-1-one.
What is the SMILES notation for 4-amino-7-methyl-2H-isoquinolin-1-one?
The canonical SMILES for 4-amino-7-methyl-2H-isoquinolin-1-one is Cc1ccc2c(N)c[nH]c(=O)c2c1.
What is the InChIKey of 4-amino-7-methyl-2H-isoquinolin-1-one?
The InChIKey is BSAVSDOIGZXLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c1-6-2-3-7-8(4-6)10(13)12-5-9(7)11/h2-5H,11H2,1H3,(H,12,13).
What are the key properties of 4-amino-7-methyl-2H-isoquinolin-1-one?
4-amino-7-methyl-2H-isoquinolin-1-one has a molecular weight of 174.20 g/mol, XLogP of 1.42, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-7-methyl-2H-isoquinolin-1-one is sourced from PubChem (CID 84654886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).