6,7-dimethoxy-1-methyl-2,3-dihydroquinolin-4-one

C12H15NO3 — CID 82276318

IUPAC6,7-dimethoxy-1-methyl-2,3-dihydroquinolin-4-one
SMILESCOc1cc2c(cc1OC)N(C)CCC2=O
InChIInChI=1S/C12H15NO3/c1-13-5-4-10(14)8-6-11(15-2)12(16-3)7-9(8)13/h6-7H,4-5H2,1-3H3
InChIKeySJADTBAZBSRDMW-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.73
Rot. Bonds2

About 6,7-dimethoxy-1-methyl-2,3-dihydroquinolin-4-one

6,7-dimethoxy-1-methyl-2,3-dihydroquinolin-4-one (PubChem CID 82276318) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 6,7-dimethoxy-1-methyl-2,3-dihydroquinolin-4-one.

Molecular Properties

Compound Name6,7-dimethoxy-1-methyl-2,3-dihydroquinolin-4-one
PubChem CID82276318
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name6,7-dimethoxy-1-methyl-2,3-dihydroquinolin-4-one
SMILESCOc1cc2c(cc1OC)N(C)CCC2=O
InChIInChI=1S/C12H15NO3/c1-13-5-4-10(14)8-6-11(15-2)12(16-3)7-9(8)13/h6-7H,4-5H2,1-3H3
InChIKeySJADTBAZBSRDMW-UHFFFAOYSA-N
XLogP1.73
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-1-methyl-2,3-dihydroquinolin-4-one?
The IUPAC name of 6,7-dimethoxy-1-methyl-2,3-dihydroquinolin-4-one (CID 82276318) is 6,7-dimethoxy-1-methyl-2,3-dihydroquinolin-4-one.
What is the SMILES notation for 6,7-dimethoxy-1-methyl-2,3-dihydroquinolin-4-one?
The canonical SMILES for 6,7-dimethoxy-1-methyl-2,3-dihydroquinolin-4-one is COc1cc2c(cc1OC)N(C)CCC2=O.
What is the InChIKey of 6,7-dimethoxy-1-methyl-2,3-dihydroquinolin-4-one?
The InChIKey is SJADTBAZBSRDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-13-5-4-10(14)8-6-11(15-2)12(16-3)7-9(8)13/h6-7H,4-5H2,1-3H3.
What are the key properties of 6,7-dimethoxy-1-methyl-2,3-dihydroquinolin-4-one?
6,7-dimethoxy-1-methyl-2,3-dihydroquinolin-4-one has a molecular weight of 221.26 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-1-methyl-2,3-dihydroquinolin-4-one is sourced from PubChem (CID 82276318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).