6-(dimethylaminomethylidene)-7,8-dihydroquinolin-5-one

C12H14N2O — CID 54008411

IUPAC6-(dimethylaminomethylidene)-7,8-dihydroquinolin-5-one
SMILESCN(C)C=C1CCc2ncccc2C1=O
InChIInChI=1S/C12H14N2O/c1-14(2)8-9-5-6-11-10(12(9)15)4-3-7-13-11/h3-4,7-8H,5-6H2,1-2H3
InChIKeyKQNXDHOZDKOGMV-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.66
Rot. Bonds1

About 6-(dimethylaminomethylidene)-7,8-dihydroquinolin-5-one

6-(dimethylaminomethylidene)-7,8-dihydroquinolin-5-one (PubChem CID 54008411) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 6-(dimethylaminomethylidene)-7,8-dihydroquinolin-5-one.

Molecular Properties

Compound Name6-(dimethylaminomethylidene)-7,8-dihydroquinolin-5-one
PubChem CID54008411
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name6-(dimethylaminomethylidene)-7,8-dihydroquinolin-5-one
SMILESCN(C)C=C1CCc2ncccc2C1=O
InChIInChI=1S/C12H14N2O/c1-14(2)8-9-5-6-11-10(12(9)15)4-3-7-13-11/h3-4,7-8H,5-6H2,1-2H3
InChIKeyKQNXDHOZDKOGMV-UHFFFAOYSA-N
XLogP1.66
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(dimethylaminomethylidene)-7,8-dihydroquinolin-5-one?
The IUPAC name of 6-(dimethylaminomethylidene)-7,8-dihydroquinolin-5-one (CID 54008411) is 6-(dimethylaminomethylidene)-7,8-dihydroquinolin-5-one.
What is the SMILES notation for 6-(dimethylaminomethylidene)-7,8-dihydroquinolin-5-one?
The canonical SMILES for 6-(dimethylaminomethylidene)-7,8-dihydroquinolin-5-one is CN(C)C=C1CCc2ncccc2C1=O.
What is the InChIKey of 6-(dimethylaminomethylidene)-7,8-dihydroquinolin-5-one?
The InChIKey is KQNXDHOZDKOGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-14(2)8-9-5-6-11-10(12(9)15)4-3-7-13-11/h3-4,7-8H,5-6H2,1-2H3.
What are the key properties of 6-(dimethylaminomethylidene)-7,8-dihydroquinolin-5-one?
6-(dimethylaminomethylidene)-7,8-dihydroquinolin-5-one has a molecular weight of 202.26 g/mol, XLogP of 1.66, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylaminomethylidene)-7,8-dihydroquinolin-5-one is sourced from PubChem (CID 54008411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).