(7E)-7-(dimethylaminomethylidene)quinolin-6-one

C12H12N2O — CID 19886276

IUPAC(7E)-7-(dimethylaminomethylidene)quinolin-6-one
SMILESCN(C)/C=C1\C=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/b10-8+
InChIKeyPPGPEDFPUVDBIS-CSKARUKUSA-N
MW200.24 g/mol
LogP-0.33
Rot. Bonds1

About (7E)-7-(dimethylaminomethylidene)quinolin-6-one

(7E)-7-(dimethylaminomethylidene)quinolin-6-one (PubChem CID 19886276) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is (7E)-7-(dimethylaminomethylidene)quinolin-6-one.

Molecular Properties

Compound Name(7E)-7-(dimethylaminomethylidene)quinolin-6-one
PubChem CID19886276
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name(7E)-7-(dimethylaminomethylidene)quinolin-6-one
SMILESCN(C)/C=C1\C=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/b10-8+
InChIKeyPPGPEDFPUVDBIS-CSKARUKUSA-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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Frequently Asked Questions

What is the IUPAC name of (7E)-7-(dimethylaminomethylidene)quinolin-6-one?
The IUPAC name of (7E)-7-(dimethylaminomethylidene)quinolin-6-one (CID 19886276) is (7E)-7-(dimethylaminomethylidene)quinolin-6-one.
What is the SMILES notation for (7E)-7-(dimethylaminomethylidene)quinolin-6-one?
The canonical SMILES for (7E)-7-(dimethylaminomethylidene)quinolin-6-one is CN(C)/C=C1\C=c2ncccc2=CC1=O.
What is the InChIKey of (7E)-7-(dimethylaminomethylidene)quinolin-6-one?
The InChIKey is PPGPEDFPUVDBIS-CSKARUKUSA-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/b10-8+.
What are the key properties of (7E)-7-(dimethylaminomethylidene)quinolin-6-one?
(7E)-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 (7E)-7-(dimethylaminomethylidene)quinolin-6-one is sourced from PubChem (CID 19886276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).