N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-quinolin-8-ylprop-2-enamide

C20H20N2O3 — CID 111520087

IUPACN-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-quinolin-8-ylprop-2-enamide
SMILESCc1ccc(C(C)(O)CNC(=O)C=Cc2cccc3cccnc23)o1
InChIInChI=1S/C20H20N2O3/c1-14-8-10-17(25-14)20(2,24)13-22-18(23)11-9-16-6-3-5-15-7-4-12-21-19(15)16/h3-12,24H,13H2,1-2H3,(H,22,23)
InChIKeyUPHICXKOZAYZEP-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.17
Rot. Bonds5

About N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-quinolin-8-ylprop-2-enamide

N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-quinolin-8-ylprop-2-enamide (PubChem CID 111520087) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-quinolin-8-ylprop-2-enamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-quinolin-8-ylprop-2-enamide
PubChem CID111520087
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC NameN-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-quinolin-8-ylprop-2-enamide
SMILESCc1ccc(C(C)(O)CNC(=O)C=Cc2cccc3cccnc23)o1
InChIInChI=1S/C20H20N2O3/c1-14-8-10-17(25-14)20(2,24)13-22-18(23)11-9-16-6-3-5-15-7-4-12-21-19(15)16/h3-12,24H,13H2,1-2H3,(H,22,23)
InChIKeyUPHICXKOZAYZEP-UHFFFAOYSA-N
XLogP3.17
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-quinolin-8-ylprop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-quinolin-8-ylprop-2-enamide
CID 71985062
1-ethyl-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-(quinolin-8-ylmethyl)guanidine
CID 111663359
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]prop-2-enamide
CID 126814841
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 111912225
N-[(2R)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-methylbut-2-enamide
CID 96567216
2,5-dimethyl-N'-[(E)-3-quinolin-8-ylprop-2-enoyl]furan-3-carbohydrazide
CID 51333730
(E)-N-(2-pyridin-2-ylethyl)-3-quinolin-8-ylprop-2-enamide
CID 39897812
N-[(1-hydroxycyclobutyl)methyl]-3-quinolin-8-ylprop-2-enamide
CID 111445377
3-(4-fluoro-2-nitrophenyl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]prop-2-enamide
CID 111912205
(E)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-quinolin-8-ylprop-2-enamide
CID 42937673
(E)-N-(2-ethyl-6-methylphenyl)-3-quinolin-8-ylprop-2-enamide
CID 51335179
(E)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-3-quinolin-8-ylprop-2-enamide
CID 110003116

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-quinolin-8-ylprop-2-enamide?
The IUPAC name of N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-quinolin-8-ylprop-2-enamide (CID 111520087) is N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-quinolin-8-ylprop-2-enamide.
What is the SMILES notation for N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-quinolin-8-ylprop-2-enamide?
The canonical SMILES for N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-quinolin-8-ylprop-2-enamide is Cc1ccc(C(C)(O)CNC(=O)C=Cc2cccc3cccnc23)o1.
What is the InChIKey of N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-quinolin-8-ylprop-2-enamide?
The InChIKey is UPHICXKOZAYZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-14-8-10-17(25-14)20(2,24)13-22-18(23)11-9-16-6-3-5-15-7-4-12-21-19(15)16/h3-12,24H,13H2,1-2H3,(H,22,23).
What are the key properties of N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-quinolin-8-ylprop-2-enamide?
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-quinolin-8-ylprop-2-enamide has a molecular weight of 336.39 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-quinolin-8-ylprop-2-enamide is sourced from PubChem (CID 111520087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).