(E)-N-[2-(2-imidazol-1-ylphenyl)ethyl]-3-quinolin-2-ylprop-2-enamide

C23H20N4O — CID 175434941

IUPAC(E)-N-[2-(2-imidazol-1-ylphenyl)ethyl]-3-quinolin-2-ylprop-2-enamide
SMILESO=C(/C=C/c1ccc2ccccc2n1)NCCc1ccccc1-n1ccnc1
InChIInChI=1S/C23H20N4O/c28-23(12-11-20-10-9-18-5-1-3-7-21(18)26-20)25-14-13-19-6-2-4-8-22(19)27-16-15-24-17-27/h1-12,15-17H,13-14H2,(H,25,28)/b12-11+
InChIKeyGEAIAMFBPMLXOY-VAWYXSNFSA-N
MW368.44 g/mol
LogP3.79
Rot. Bonds6

About (E)-N-[2-(2-imidazol-1-ylphenyl)ethyl]-3-quinolin-2-ylprop-2-enamide

(E)-N-[2-(2-imidazol-1-ylphenyl)ethyl]-3-quinolin-2-ylprop-2-enamide (PubChem CID 175434941) has the molecular formula C23H20N4O and a molecular weight of 368.44 g/mol. Its IUPAC name is (E)-N-[2-(2-imidazol-1-ylphenyl)ethyl]-3-quinolin-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(2-imidazol-1-ylphenyl)ethyl]-3-quinolin-2-ylprop-2-enamide
PubChem CID175434941
Molecular FormulaC23H20N4O
Molecular Weight368.44 g/mol
Exact Mass368.16
IUPAC Name(E)-N-[2-(2-imidazol-1-ylphenyl)ethyl]-3-quinolin-2-ylprop-2-enamide
SMILESO=C(/C=C/c1ccc2ccccc2n1)NCCc1ccccc1-n1ccnc1
InChIInChI=1S/C23H20N4O/c28-23(12-11-20-10-9-18-5-1-3-7-21(18)26-20)25-14-13-19-6-2-4-8-22(19)27-16-15-24-17-27/h1-12,15-17H,13-14H2,(H,25,28)/b12-11+
InChIKeyGEAIAMFBPMLXOY-VAWYXSNFSA-N
XLogP3.79
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-butyl-3-quinolin-2-ylprop-2-enamide
CID 30282284
(E)-N-(3-aminopropyl)-3-quinolin-2-ylprop-2-enamide
CID 110486554
(E)-3-(4-tert-butylphenyl)-N-[(2-imidazol-1-ylphenyl)methyl]prop-2-enamide
CID 28631482
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-quinoxalin-2-ylprop-2-enamide
CID 71885790
2-(2-imidazol-1-ylphenyl)quinoline
CID 67206149
(E)-N-[(4-fluorophenyl)methyl]-3-quinolin-2-ylprop-2-enamide
CID 17391018
N-[(2-imidazol-1-ylphenyl)methyl]-2-pyridin-4-ylsulfanylacetamide
CID 131924662
2-[(E)-3-imidazol-1-ylprop-1-enyl]quinoline
CID 18467017
N-[(2-imidazol-1-ylphenyl)methyl]-3-phenylsulfanylpropanamide
CID 92680048
1-pyridin-4-yl-3-quinolin-2-ylprop-2-en-1-one
CID 74395294
(E)-N-[3-(1,3-benzothiazol-2-yl)propyl]-3-(4-imidazol-1-ylphenyl)prop-2-enamide
CID 166195199
1-[2-(4-chlorophenyl)sulfanylethyl]-3-[(2-imidazol-1-ylphenyl)methyl]urea
CID 60580594

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(2-imidazol-1-ylphenyl)ethyl]-3-quinolin-2-ylprop-2-enamide?
The IUPAC name of (E)-N-[2-(2-imidazol-1-ylphenyl)ethyl]-3-quinolin-2-ylprop-2-enamide (CID 175434941) is (E)-N-[2-(2-imidazol-1-ylphenyl)ethyl]-3-quinolin-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[2-(2-imidazol-1-ylphenyl)ethyl]-3-quinolin-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-[2-(2-imidazol-1-ylphenyl)ethyl]-3-quinolin-2-ylprop-2-enamide is O=C(/C=C/c1ccc2ccccc2n1)NCCc1ccccc1-n1ccnc1.
What is the InChIKey of (E)-N-[2-(2-imidazol-1-ylphenyl)ethyl]-3-quinolin-2-ylprop-2-enamide?
The InChIKey is GEAIAMFBPMLXOY-VAWYXSNFSA-N. The full InChI is InChI=1S/C23H20N4O/c28-23(12-11-20-10-9-18-5-1-3-7-21(18)26-20)25-14-13-19-6-2-4-8-22(19)27-16-15-24-17-27/h1-12,15-17H,13-14H2,(H,25,28)/b12-11+.
What are the key properties of (E)-N-[2-(2-imidazol-1-ylphenyl)ethyl]-3-quinolin-2-ylprop-2-enamide?
(E)-N-[2-(2-imidazol-1-ylphenyl)ethyl]-3-quinolin-2-ylprop-2-enamide has a molecular weight of 368.44 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(2-imidazol-1-ylphenyl)ethyl]-3-quinolin-2-ylprop-2-enamide is sourced from PubChem (CID 175434941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).