7-(dimethylamino)-4-methoxy-1-methylquinolin-2-one

C13H16N2O2 — CID 660402

IUPAC7-(dimethylamino)-4-methoxy-1-methylquinolin-2-one
SMILESCOc1cc(=O)n(C)c2cc(N(C)C)ccc12
InChIInChI=1S/C13H16N2O2/c1-14(2)9-5-6-10-11(7-9)15(3)13(16)8-12(10)17-4/h5-8H,1-4H3
InChIKeyQDMMJNKNTHFMOY-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.61
Rot. Bonds2

About 7-(dimethylamino)-4-methoxy-1-methylquinolin-2-one

7-(dimethylamino)-4-methoxy-1-methylquinolin-2-one (PubChem CID 660402) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 7-(dimethylamino)-4-methoxy-1-methylquinolin-2-one.

Molecular Properties

Compound Name7-(dimethylamino)-4-methoxy-1-methylquinolin-2-one
PubChem CID660402
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name7-(dimethylamino)-4-methoxy-1-methylquinolin-2-one
SMILESCOc1cc(=O)n(C)c2cc(N(C)C)ccc12
InChIInChI=1S/C13H16N2O2/c1-14(2)9-5-6-10-11(7-9)15(3)13(16)8-12(10)17-4/h5-8H,1-4H3
InChIKeyQDMMJNKNTHFMOY-UHFFFAOYSA-N
XLogP1.61
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-methyl-2-quinolone
CID 182073
N-Methylflindersine
CID 72819
(+)-2,6-Dihydro-2,6-dimethyl-2-(4-methyl-3-penten-1-yl)-5H-pyrano[3,2-c]quinolin-5-one
CID 5315426
Simulenoline
CID 5321316
N-Methylschinifoline
CID 101652163
2,2,6-Trimethyl-2,3,4,6-tetrahydro-5H-pyrano[3,2-c]quinolin-5-one
CID 608293
Orijanone
CID 10778640
N-metilatanina
CID 15460082
4-Methoxy-1H-quinolin-2-one
CID 600167
N-Acetoxymethylflindersine
CID 11289552
Peroxysimulenoline
CID 101936038
3-Allyl-1-methyl-2-oxo-1,2-dihydro-4-quinolinyl acetate
CID 822429

Frequently Asked Questions

What is the IUPAC name of 7-(dimethylamino)-4-methoxy-1-methylquinolin-2-one?
The IUPAC name of 7-(dimethylamino)-4-methoxy-1-methylquinolin-2-one (CID 660402) is 7-(dimethylamino)-4-methoxy-1-methylquinolin-2-one.
What is the SMILES notation for 7-(dimethylamino)-4-methoxy-1-methylquinolin-2-one?
The canonical SMILES for 7-(dimethylamino)-4-methoxy-1-methylquinolin-2-one is COc1cc(=O)n(C)c2cc(N(C)C)ccc12.
What is the InChIKey of 7-(dimethylamino)-4-methoxy-1-methylquinolin-2-one?
The InChIKey is QDMMJNKNTHFMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-14(2)9-5-6-10-11(7-9)15(3)13(16)8-12(10)17-4/h5-8H,1-4H3.
What are the key properties of 7-(dimethylamino)-4-methoxy-1-methylquinolin-2-one?
7-(dimethylamino)-4-methoxy-1-methylquinolin-2-one has a molecular weight of 232.28 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(dimethylamino)-4-methoxy-1-methylquinolin-2-one is sourced from PubChem (CID 660402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).