7-(dimethylaminomethylidene)quinolin-6-one

C12H12N2O — CID 54201044

IUPAC7-(dimethylaminomethylidene)quinolin-6-one
SMILESCN(C)C=C1C=c2ncccc2=CC1=O
InChIInChI=1S/C12H12N2O/c1-14(2)8-10-6-11-9(7-12(10)15)4-3-5-13-11/h3-8H,1-2H3
InChIKeyPPGPEDFPUVDBIS-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.33
Rot. Bonds1

About 7-(dimethylaminomethylidene)quinolin-6-one

7-(dimethylaminomethylidene)quinolin-6-one (PubChem CID 54201044) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 7-(dimethylaminomethylidene)quinolin-6-one.

Molecular Properties

Compound Name7-(dimethylaminomethylidene)quinolin-6-one
PubChem CID54201044
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name7-(dimethylaminomethylidene)quinolin-6-one
SMILESCN(C)C=C1C=c2ncccc2=CC1=O
InChIInChI=1S/C12H12N2O/c1-14(2)8-10-6-11-9(7-12(10)15)4-3-5-13-11/h3-8H,1-2H3
InChIKeyPPGPEDFPUVDBIS-UHFFFAOYSA-N
XLogP-0.33
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.33
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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Related Compounds

7-Chinolon
CID 66583170
Pyrrolo-[2,3-f]quinol-9-one
CID 129800260
Dibenzoazepin-3-on
CID 129707857
(7E)-7-(dimethylaminomethylidene)quinolin-6-one
CID 19886276
Quinoline-6,7-dione
CID 22371656
7-[2-(Dimethylamino)ethylidene]quinolin-6-one
CID 57206703
1,3-dimethyl-6H-1,5-naphthyridin-6-id-4-one;yttrium
CID 59113296
6,8-Dimethyl-1,6-naphthyridin-7-one
CID 59283979
5,7-Dimethyl-1,7-naphthyridin-6-one
CID 59284093
8H-pyrrolo[2,1-g][1,7]naphthyridin-7-one
CID 67084015
(7Z)-7-(dimethylaminomethylidene)quinolin-6-one
CID 67915734
6H-quinolin-7-one;dihydrochloride
CID 69640405

Frequently Asked Questions

What is the IUPAC name of 7-(dimethylaminomethylidene)quinolin-6-one?
The IUPAC name of 7-(dimethylaminomethylidene)quinolin-6-one (CID 54201044) is 7-(dimethylaminomethylidene)quinolin-6-one.
What is the SMILES notation for 7-(dimethylaminomethylidene)quinolin-6-one?
The canonical SMILES for 7-(dimethylaminomethylidene)quinolin-6-one is CN(C)C=C1C=c2ncccc2=CC1=O.
What is the InChIKey of 7-(dimethylaminomethylidene)quinolin-6-one?
The InChIKey is PPGPEDFPUVDBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-14(2)8-10-6-11-9(7-12(10)15)4-3-5-13-11/h3-8H,1-2H3.
What are the key properties of 7-(dimethylaminomethylidene)quinolin-6-one?
7-(dimethylaminomethylidene)quinolin-6-one has a molecular weight of 200.24 g/mol, XLogP of -0.33, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(dimethylaminomethylidene)quinolin-6-one is sourced from PubChem (CID 54201044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).