7-[2-(dimethylamino)ethylidene]quinolin-6-one

C13H14N2O — CID 57206703

IUPAC7-[2-(dimethylamino)ethylidene]quinolin-6-one
SMILESCN(C)CC=C1C=c2ncccc2=CC1=O
InChIInChI=1S/C13H14N2O/c1-15(2)7-5-11-8-12-10(9-13(11)16)4-3-6-14-12/h3-6,8-9H,7H2,1-2H3
InChIKeyDIABHIHQGYASPL-UHFFFAOYSA-N
MW214.27 g/mol
LogP-0.29
Rot. Bonds2

About 7-[2-(dimethylamino)ethylidene]quinolin-6-one

7-[2-(dimethylamino)ethylidene]quinolin-6-one (PubChem CID 57206703) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 7-[2-(dimethylamino)ethylidene]quinolin-6-one.

Molecular Properties

Compound Name7-[2-(dimethylamino)ethylidene]quinolin-6-one
PubChem CID57206703
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name7-[2-(dimethylamino)ethylidene]quinolin-6-one
SMILESCN(C)CC=C1C=c2ncccc2=CC1=O
InChIInChI=1S/C13H14N2O/c1-15(2)7-5-11-8-12-10(9-13(11)16)4-3-6-14-12/h3-6,8-9H,7H2,1-2H3
InChIKeyDIABHIHQGYASPL-UHFFFAOYSA-N
XLogP-0.29
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 5-0.29
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 7-[2-(dimethylamino)ethylidene]quinolin-6-one?
The IUPAC name of 7-[2-(dimethylamino)ethylidene]quinolin-6-one (CID 57206703) is 7-[2-(dimethylamino)ethylidene]quinolin-6-one.
What is the SMILES notation for 7-[2-(dimethylamino)ethylidene]quinolin-6-one?
The canonical SMILES for 7-[2-(dimethylamino)ethylidene]quinolin-6-one is CN(C)CC=C1C=c2ncccc2=CC1=O.
What is the InChIKey of 7-[2-(dimethylamino)ethylidene]quinolin-6-one?
The InChIKey is DIABHIHQGYASPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-15(2)7-5-11-8-12-10(9-13(11)16)4-3-6-14-12/h3-6,8-9H,7H2,1-2H3.
What are the key properties of 7-[2-(dimethylamino)ethylidene]quinolin-6-one?
7-[2-(dimethylamino)ethylidene]quinolin-6-one has a molecular weight of 214.27 g/mol, XLogP of -0.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(dimethylamino)ethylidene]quinolin-6-one is sourced from PubChem (CID 57206703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).