(E)-N-[3-(hydroxymethyl)phenyl]-3-quinolin-8-ylprop-2-enamide

C19H16N2O2 — CID 110883145

IUPAC(E)-N-[3-(hydroxymethyl)phenyl]-3-quinolin-8-ylprop-2-enamide
SMILESO=C(/C=C/c1cccc2cccnc12)Nc1cccc(CO)c1
InChIInChI=1S/C19H16N2O2/c22-13-14-4-1-8-17(12-14)21-18(23)10-9-16-6-2-5-15-7-3-11-20-19(15)16/h1-12,22H,13H2,(H,21,23)/b10-9+
InChIKeyGVTXCXKDWYZUCP-MDZDMXLPSA-N
MW304.35 g/mol
LogP3.38
Rot. Bonds4

About (E)-N-[3-(hydroxymethyl)phenyl]-3-quinolin-8-ylprop-2-enamide

(E)-N-[3-(hydroxymethyl)phenyl]-3-quinolin-8-ylprop-2-enamide (PubChem CID 110883145) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is (E)-N-[3-(hydroxymethyl)phenyl]-3-quinolin-8-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[3-(hydroxymethyl)phenyl]-3-quinolin-8-ylprop-2-enamide
PubChem CID110883145
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC Name(E)-N-[3-(hydroxymethyl)phenyl]-3-quinolin-8-ylprop-2-enamide
SMILESO=C(/C=C/c1cccc2cccnc12)Nc1cccc(CO)c1
InChIInChI=1S/C19H16N2O2/c22-13-14-4-1-8-17(12-14)21-18(23)10-9-16-6-2-5-15-7-3-11-20-19(15)16/h1-12,22H,13H2,(H,21,23)/b10-9+
InChIKeyGVTXCXKDWYZUCP-MDZDMXLPSA-N
XLogP3.38
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-3-[[(E)-3-quinolin-8-ylprop-2-enoyl]amino]benzamide
CID 51333826
N-ethyl-3-[[(E)-3-quinolin-8-ylprop-2-enoyl]amino]benzamide
CID 18152898
(E)-N-(4-fluorophenyl)-3-quinolin-8-ylprop-2-enamide
CID 24616881
(E)-N-(1,3-benzodioxol-5-yl)-3-quinolin-8-ylprop-2-enamide
CID 51333506
(E)-N-[3-(dimethylsulfamoyl)phenyl]-3-quinolin-8-ylprop-2-enamide
CID 51333611
(E)-N-(4-methyl-3-sulfamoylphenyl)-3-quinolin-8-ylprop-2-enamide
CID 55510584
(E)-N-(2-methyl-1,3-benzothiazol-6-yl)-3-quinolin-8-ylprop-2-enamide
CID 24623803
methyl 4-[[(E)-3-quinolin-8-ylprop-2-enoyl]amino]benzoate
CID 24623415
(E)-N'-(2-phenylacetyl)-3-quinolin-8-ylprop-2-enehydrazide
CID 24623966
(E)-N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-quinolin-8-ylprop-2-enamide
CID 55510651
(E)-N-[2-chloro-5-(propanoylamino)phenyl]-3-quinolin-8-ylprop-2-enamide
CID 94092976
(E)-N-[3-[(E)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-3-quinolin-8-ylprop-2-enamide
CID 60530655

Frequently Asked Questions

What is the IUPAC name of (E)-N-[3-(hydroxymethyl)phenyl]-3-quinolin-8-ylprop-2-enamide?
The IUPAC name of (E)-N-[3-(hydroxymethyl)phenyl]-3-quinolin-8-ylprop-2-enamide (CID 110883145) is (E)-N-[3-(hydroxymethyl)phenyl]-3-quinolin-8-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[3-(hydroxymethyl)phenyl]-3-quinolin-8-ylprop-2-enamide?
The canonical SMILES for (E)-N-[3-(hydroxymethyl)phenyl]-3-quinolin-8-ylprop-2-enamide is O=C(/C=C/c1cccc2cccnc12)Nc1cccc(CO)c1.
What is the InChIKey of (E)-N-[3-(hydroxymethyl)phenyl]-3-quinolin-8-ylprop-2-enamide?
The InChIKey is GVTXCXKDWYZUCP-MDZDMXLPSA-N. The full InChI is InChI=1S/C19H16N2O2/c22-13-14-4-1-8-17(12-14)21-18(23)10-9-16-6-2-5-15-7-3-11-20-19(15)16/h1-12,22H,13H2,(H,21,23)/b10-9+.
What are the key properties of (E)-N-[3-(hydroxymethyl)phenyl]-3-quinolin-8-ylprop-2-enamide?
(E)-N-[3-(hydroxymethyl)phenyl]-3-quinolin-8-ylprop-2-enamide has a molecular weight of 304.35 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[3-(hydroxymethyl)phenyl]-3-quinolin-8-ylprop-2-enamide is sourced from PubChem (CID 110883145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).