6-amino-1,3-dimethylquinolin-2-one

C11H12N2O — CID 83636605

IUPAC6-amino-1,3-dimethylquinolin-2-one
SMILESCc1cc2cc(N)ccc2n(C)c1=O
InChIInChI=1S/C11H12N2O/c1-7-5-8-6-9(12)3-4-10(8)13(2)11(7)14/h3-6H,12H2,1-2H3
InChIKeyFSPMDZJWOCCHDG-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.43
Rot. Bonds

About 6-amino-1,3-dimethylquinolin-2-one

6-amino-1,3-dimethylquinolin-2-one (PubChem CID 83636605) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 6-amino-1,3-dimethylquinolin-2-one.

Molecular Properties

Compound Name6-amino-1,3-dimethylquinolin-2-one
PubChem CID83636605
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name6-amino-1,3-dimethylquinolin-2-one
SMILESCc1cc2cc(N)ccc2n(C)c1=O
InChIInChI=1S/C11H12N2O/c1-7-5-8-6-9(12)3-4-10(8)13(2)11(7)14/h3-6H,12H2,1-2H3
InChIKeyFSPMDZJWOCCHDG-UHFFFAOYSA-N
XLogP1.43
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1,3-dimethylquinolin-2-one?
The IUPAC name of 6-amino-1,3-dimethylquinolin-2-one (CID 83636605) is 6-amino-1,3-dimethylquinolin-2-one.
What is the SMILES notation for 6-amino-1,3-dimethylquinolin-2-one?
The canonical SMILES for 6-amino-1,3-dimethylquinolin-2-one is Cc1cc2cc(N)ccc2n(C)c1=O.
What is the InChIKey of 6-amino-1,3-dimethylquinolin-2-one?
The InChIKey is FSPMDZJWOCCHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-7-5-8-6-9(12)3-4-10(8)13(2)11(7)14/h3-6H,12H2,1-2H3.
What are the key properties of 6-amino-1,3-dimethylquinolin-2-one?
6-amino-1,3-dimethylquinolin-2-one has a molecular weight of 188.23 g/mol, XLogP of 1.43, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1,3-dimethylquinolin-2-one is sourced from PubChem (CID 83636605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).