(E)-N-(2-quinolin-8-ylethyl)but-2-enamide

C15H16N2O — CID 112723855

IUPAC(E)-N-(2-quinolin-8-ylethyl)but-2-enamide
SMILESC/C=C/C(=O)NCCc1cccc2cccnc12
InChIInChI=1S/C15H16N2O/c1-2-5-14(18)16-11-9-13-7-3-6-12-8-4-10-17-15(12)13/h2-8,10H,9,11H2,1H3,(H,16,18)/b5-2+
InChIKeyPJWRSTZSRJDXOT-GORDUTHDSA-N
MW240.31 g/mol
LogP2.47
Rot. Bonds4

About (E)-N-(2-quinolin-8-ylethyl)but-2-enamide

(E)-N-(2-quinolin-8-ylethyl)but-2-enamide (PubChem CID 112723855) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is (E)-N-(2-quinolin-8-ylethyl)but-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-quinolin-8-ylethyl)but-2-enamide
PubChem CID112723855
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name(E)-N-(2-quinolin-8-ylethyl)but-2-enamide
SMILESC/C=C/C(=O)NCCc1cccc2cccnc12
InChIInChI=1S/C15H16N2O/c1-2-5-14(18)16-11-9-13-7-3-6-12-8-4-10-17-15(12)13/h2-8,10H,9,11H2,1H3,(H,16,18)/b5-2+
InChIKeyPJWRSTZSRJDXOT-GORDUTHDSA-N
XLogP2.47
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.47
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

methyl N-(2-quinolin-8-ylethyl)carbamate
CID 115577084
(2R)-2-amino-N-(2-quinolin-8-ylethyl)propanamide
CID 78983595
2-[2-oxo-2-(2-quinolin-8-ylethylamino)ethoxy]-N-(2-quinolin-8-ylethyl)acetamide
CID 78847250
2-(4-methylcyclohexylidene)-N-(2-quinolin-8-ylethyl)acetamide
CID 86952686
(2S)-2-amino-3-methyl-N-(2-quinolin-8-ylethyl)butanamide
CID 81427163
3-chloro-N-(2-quinolin-8-ylethyl)propanamide
CID 81427870
4-amino-2-methyl-N-(2-quinolin-8-ylethyl)butanamide
CID 81427876
3-chloro-2,2-dimethyl-N-(2-quinolin-8-ylethyl)propanamide
CID 81426799
N-methyl-2-quinolin-8-ylethanamine
CID 62549686
4-methoxy-N-(2-quinolin-8-ylethyl)benzamide
CID 18149251
2-(4-methoxyphenyl)-N-(2-quinolin-8-ylethyl)acetamide
CID 18149265
2-methyl-1-(2-quinolin-8-ylethyl)guanidine
CID 78989907

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-quinolin-8-ylethyl)but-2-enamide?
The IUPAC name of (E)-N-(2-quinolin-8-ylethyl)but-2-enamide (CID 112723855) is (E)-N-(2-quinolin-8-ylethyl)but-2-enamide.
What is the SMILES notation for (E)-N-(2-quinolin-8-ylethyl)but-2-enamide?
The canonical SMILES for (E)-N-(2-quinolin-8-ylethyl)but-2-enamide is C/C=C/C(=O)NCCc1cccc2cccnc12.
What is the InChIKey of (E)-N-(2-quinolin-8-ylethyl)but-2-enamide?
The InChIKey is PJWRSTZSRJDXOT-GORDUTHDSA-N. The full InChI is InChI=1S/C15H16N2O/c1-2-5-14(18)16-11-9-13-7-3-6-12-8-4-10-17-15(12)13/h2-8,10H,9,11H2,1H3,(H,16,18)/b5-2+.
What are the key properties of (E)-N-(2-quinolin-8-ylethyl)but-2-enamide?
(E)-N-(2-quinolin-8-ylethyl)but-2-enamide has a molecular weight of 240.31 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-quinolin-8-ylethyl)but-2-enamide is sourced from PubChem (CID 112723855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).