(E)-N-methyl-3-quinolin-6-ylprop-2-enamide

C13H12N2O — CID 143759585

IUPAC(E)-N-methyl-3-quinolin-6-ylprop-2-enamide
SMILESCNC(=O)/C=C/c1ccc2ncccc2c1
InChIInChI=1S/C13H12N2O/c1-14-13(16)7-5-10-4-6-12-11(9-10)3-2-8-15-12/h2-9H,1H3,(H,14,16)/b7-5+
InChIKeyJSALQVNGFXDLDR-FNORWQNLSA-N
MW212.25 g/mol
LogP1.99
Rot. Bonds2

About (E)-N-methyl-3-quinolin-6-ylprop-2-enamide

(E)-N-methyl-3-quinolin-6-ylprop-2-enamide (PubChem CID 143759585) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is (E)-N-methyl-3-quinolin-6-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-methyl-3-quinolin-6-ylprop-2-enamide
PubChem CID143759585
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC Name(E)-N-methyl-3-quinolin-6-ylprop-2-enamide
SMILESCNC(=O)/C=C/c1ccc2ncccc2c1
InChIInChI=1S/C13H12N2O/c1-14-13(16)7-5-10-4-6-12-11(9-10)3-2-8-15-12/h2-9H,1H3,(H,14,16)/b7-5+
InChIKeyJSALQVNGFXDLDR-FNORWQNLSA-N
XLogP1.99
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-hydroxy-3-quinolin-6-ylprop-2-enamide
CID 85112903
(E)-1-phenyl-3-quinolin-6-ylprop-2-en-1-one
CID 13382828
6-[(E)-2-quinolin-6-ylethenyl]quinoline
CID 23251154
(E)-3-(4-methylphenyl)-N-quinolin-6-ylprop-2-enamide
CID 55731322
(E)-1-(4-methylsulfanylphenyl)-3-quinolin-6-ylprop-2-en-1-one
CID 55353447
(E)-1-(3-chlorophenyl)-3-quinolin-6-ylprop-2-en-1-one
CID 55353592
6-(2-fluoroprop-1-enyl)quinoline
CID 91586945
(E)-N-[2-hydroxy-3-(4-iodophenoxy)propyl]-3-quinolin-6-ylprop-2-enamide
CID 166321743
N-methyl-3-pyridin-3-ylprop-2-enamide
CID 73116356
(E)-but-2-enedioic acid;bis(6-methylquinoline)
CID 139196250
6-[2-(2,3,4,5,6-pentafluorophenyl)ethenyl]quinoline
CID 170319859
(E)-3-(3-amino-4-fluorophenyl)-N-methylprop-2-enamide
CID 39239019

Frequently Asked Questions

What is the IUPAC name of (E)-N-methyl-3-quinolin-6-ylprop-2-enamide?
The IUPAC name of (E)-N-methyl-3-quinolin-6-ylprop-2-enamide (CID 143759585) is (E)-N-methyl-3-quinolin-6-ylprop-2-enamide.
What is the SMILES notation for (E)-N-methyl-3-quinolin-6-ylprop-2-enamide?
The canonical SMILES for (E)-N-methyl-3-quinolin-6-ylprop-2-enamide is CNC(=O)/C=C/c1ccc2ncccc2c1.
What is the InChIKey of (E)-N-methyl-3-quinolin-6-ylprop-2-enamide?
The InChIKey is JSALQVNGFXDLDR-FNORWQNLSA-N. The full InChI is InChI=1S/C13H12N2O/c1-14-13(16)7-5-10-4-6-12-11(9-10)3-2-8-15-12/h2-9H,1H3,(H,14,16)/b7-5+.
What are the key properties of (E)-N-methyl-3-quinolin-6-ylprop-2-enamide?
(E)-N-methyl-3-quinolin-6-ylprop-2-enamide has a molecular weight of 212.25 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methyl-3-quinolin-6-ylprop-2-enamide is sourced from PubChem (CID 143759585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).