(E)-2-quinolin-3-ylbut-2-enamide

C13H12N2O — CID 174944026

IUPAC(E)-2-quinolin-3-ylbut-2-enamide
SMILESC/C=C(/C(N)=O)c1cnc2ccccc2c1
InChIInChI=1S/C13H12N2O/c1-2-11(13(14)16)10-7-9-5-3-4-6-12(9)15-8-10/h2-8H,1H3,(H2,14,16)/b11-2+
InChIKeyARDYYPAYWUIUMP-BIIKFXOESA-N
MW212.25 g/mol
LogP2.12
Rot. Bonds2

About (E)-2-quinolin-3-ylbut-2-enamide

(E)-2-quinolin-3-ylbut-2-enamide (PubChem CID 174944026) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is (E)-2-quinolin-3-ylbut-2-enamide.

Molecular Properties

Compound Name(E)-2-quinolin-3-ylbut-2-enamide
PubChem CID174944026
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC Name(E)-2-quinolin-3-ylbut-2-enamide
SMILESC/C=C(/C(N)=O)c1cnc2ccccc2c1
InChIInChI=1S/C13H12N2O/c1-2-11(13(14)16)10-7-9-5-3-4-6-12(9)15-8-10/h2-8H,1H3,(H2,14,16)/b11-2+
InChIKeyARDYYPAYWUIUMP-BIIKFXOESA-N
XLogP2.12
TPSA55.98 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 ≤ 52.12
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

quinoline-3-carboxamide;hydrofluoride
CID 174911514
quinoline-3-carboxylate
CID 4608508
2-(4-hydroxyphenyl)-3-quinolin-3-ylprop-2-enamide
CID 54293245
(Z)-2-(4-hydroxyphenyl)-3-quinolin-3-ylprop-2-enamide
CID 67704965
1-quinolin-3-ylprop-2-en-1-one
CID 103453657
2-hydroxy-2-methyl-1-quinolin-3-ylpropan-1-one
CID 103446227
(1-oxo-1-quinolin-3-ylpropan-2-yl) carbamate
CID 123444610
carbonyl dichloride;quinoline-3-carboxylic acid
CID 175289113
2,3-dihydro-1H-inden-2-yl(quinolin-3-yl)methanone
CID 65406841
(3-ethyl-6-methylpyridazin-4-yl)-quinolin-3-ylmethanone
CID 105081132
(4-methylsulfanylphenyl)-quinolin-3-ylmethanone
CID 114963133
prop-2-enyl quinoline-3-carboxylate
CID 54359165

Frequently Asked Questions

What is the IUPAC name of (E)-2-quinolin-3-ylbut-2-enamide?
The IUPAC name of (E)-2-quinolin-3-ylbut-2-enamide (CID 174944026) is (E)-2-quinolin-3-ylbut-2-enamide.
What is the SMILES notation for (E)-2-quinolin-3-ylbut-2-enamide?
The canonical SMILES for (E)-2-quinolin-3-ylbut-2-enamide is C/C=C(/C(N)=O)c1cnc2ccccc2c1.
What is the InChIKey of (E)-2-quinolin-3-ylbut-2-enamide?
The InChIKey is ARDYYPAYWUIUMP-BIIKFXOESA-N. The full InChI is InChI=1S/C13H12N2O/c1-2-11(13(14)16)10-7-9-5-3-4-6-12(9)15-8-10/h2-8H,1H3,(H2,14,16)/b11-2+.
What are the key properties of (E)-2-quinolin-3-ylbut-2-enamide?
(E)-2-quinolin-3-ylbut-2-enamide has a molecular weight of 212.25 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-quinolin-3-ylbut-2-enamide is sourced from PubChem (CID 174944026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).