3-(dimethylamino)-8aH-isoquinolin-1-one

C11H12N2O — CID 85436883

IUPAC3-(dimethylamino)-8aH-isoquinolin-1-one
SMILESCN(C)C1=NC(=O)C2C=CC=CC2=C1
InChIInChI=1S/C11H12N2O/c1-13(2)10-7-8-5-3-4-6-9(8)11(14)12-10/h3-7,9H,1-2H3
InChIKeyFGWVXXSVKMIKCO-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.16
Rot. Bonds

About 3-(dimethylamino)-8aH-isoquinolin-1-one

3-(dimethylamino)-8aH-isoquinolin-1-one (PubChem CID 85436883) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 3-(dimethylamino)-8aH-isoquinolin-1-one.

Molecular Properties

Compound Name3-(dimethylamino)-8aH-isoquinolin-1-one
PubChem CID85436883
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name3-(dimethylamino)-8aH-isoquinolin-1-one
SMILESCN(C)C1=NC(=O)C2C=CC=CC2=C1
InChIInChI=1S/C11H12N2O/c1-13(2)10-7-8-5-3-4-6-9(8)11(14)12-10/h3-7,9H,1-2H3
InChIKeyFGWVXXSVKMIKCO-UHFFFAOYSA-N
XLogP1.16
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethoxy-4aH-quinazolin-4-one
CID 78203567
4-methyl-8aH-phthalazin-1-one
CID 57273587
10aH-heptalen-1-one
CID 91586350
4-bromo-4aH-quinolin-2-one
CID 71303285
6-[2-(dimethylamino)acetyl]cyclohexa-2,4-dien-1-one
CID 140991636
ethyl 4-hydroxy-1-oxo-8aH-isoquinoline-3-carboxylate
CID 71650539
2-(4-fluorophenyl)-4aH-quinazolin-4-one
CID 78213954
9-methyl-3,9,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,3,5,12,14,16-hexaen-8-one
CID 159927533
methyl 3-(4-oxo-4aH-quinazolin-2-yl)propanoate
CID 78176867
8-bromocycloocta-2,4,6-trien-1-one
CID 71392363
dimethyl-bis(2-trimethylsilyl-4bH-fluoren-1-yl)silane
CID 173314975
2-methyl-5aH-benzo[g]quinazolin-4-one
CID 76845217

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-8aH-isoquinolin-1-one?
The IUPAC name of 3-(dimethylamino)-8aH-isoquinolin-1-one (CID 85436883) is 3-(dimethylamino)-8aH-isoquinolin-1-one.
What is the SMILES notation for 3-(dimethylamino)-8aH-isoquinolin-1-one?
The canonical SMILES for 3-(dimethylamino)-8aH-isoquinolin-1-one is CN(C)C1=NC(=O)C2C=CC=CC2=C1.
What is the InChIKey of 3-(dimethylamino)-8aH-isoquinolin-1-one?
The InChIKey is FGWVXXSVKMIKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-13(2)10-7-8-5-3-4-6-9(8)11(14)12-10/h3-7,9H,1-2H3.
What are the key properties of 3-(dimethylamino)-8aH-isoquinolin-1-one?
3-(dimethylamino)-8aH-isoquinolin-1-one has a molecular weight of 188.23 g/mol, XLogP of 1.16, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-8aH-isoquinolin-1-one is sourced from PubChem (CID 85436883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).