(E)-N-[(2R)-4-[(2R)-oxolan-2-yl]butan-2-yl]-3-quinolin-4-ylprop-2-enamide

C20H24N2O2 — CID 95629687

IUPAC(E)-N-[(2R)-4-[(2R)-oxolan-2-yl]butan-2-yl]-3-quinolin-4-ylprop-2-enamide
SMILESC[C@H](CC[C@@H]1CCCO1)NC(=O)/C=C/c1ccnc2ccccc12
InChIInChI=1S/C20H24N2O2/c1-15(8-10-17-5-4-14-24-17)22-20(23)11-9-16-12-13-21-19-7-3-2-6-18(16)19/h2-3,6-7,9,11-13,15,17H,4-5,8,10,14H2,1H3,(H,22,23)/b11-9+/t15-,17+/m1/s1
InChIKeyOUAATNTVCPGAJT-XLZHNJQLSA-N
MW324.42 g/mol
LogP3.71
Rot. Bonds6

About (E)-N-[(2R)-4-[(2R)-oxolan-2-yl]butan-2-yl]-3-quinolin-4-ylprop-2-enamide

(E)-N-[(2R)-4-[(2R)-oxolan-2-yl]butan-2-yl]-3-quinolin-4-ylprop-2-enamide (PubChem CID 95629687) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is (E)-N-[(2R)-4-[(2R)-oxolan-2-yl]butan-2-yl]-3-quinolin-4-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(2R)-4-[(2R)-oxolan-2-yl]butan-2-yl]-3-quinolin-4-ylprop-2-enamide
PubChem CID95629687
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name(E)-N-[(2R)-4-[(2R)-oxolan-2-yl]butan-2-yl]-3-quinolin-4-ylprop-2-enamide
SMILESC[C@H](CC[C@@H]1CCCO1)NC(=O)/C=C/c1ccnc2ccccc12
InChIInChI=1S/C20H24N2O2/c1-15(8-10-17-5-4-14-24-17)22-20(23)11-9-16-12-13-21-19-7-3-2-6-18(16)19/h2-3,6-7,9,11-13,15,17H,4-5,8,10,14H2,1H3,(H,22,23)/b11-9+/t15-,17+/m1/s1
InChIKeyOUAATNTVCPGAJT-XLZHNJQLSA-N
XLogP3.71
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-N-[(2R)-4-[(2R)-oxolan-2-yl]butan-2-yl]-3-quinolin-4-ylprop-2-enamide with MolForge

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Launch Full Analysis

Related Compounds

N-[2-oxo-2-[[(2S)-4-[(2S)-oxolan-2-yl]butan-2-yl]amino]ethyl]benzamide
CID 94800701
(2R)-3-phenyl-2-[[(Z)-3-quinolin-4-ylprop-2-enoyl]amino]propanamide
CID 98525818
N-[(2R)-4-[(2S)-oxolan-2-yl]butan-2-yl]-3H-benzimidazole-5-carboxamide
CID 94820918
N-[(2R)-4-[(2R)-oxolan-2-yl]butan-2-yl]-3H-benzimidazole-5-carboxamide
CID 94820916
N-[(2R)-4-[(2R)-oxolan-2-yl]butan-2-yl]-3-phenylfuran-2-carboxamide
CID 94798688
N-[4-(oxolan-2-yl)butan-2-yl]-3-phenylfuran-2-carboxamide
CID 47091747
3-(oxolan-2-yl)-1-quinolin-5-ylpropan-1-one
CID 115789835
(2S,3R)-2-methyl-N-[(2R)-4-[(2R)-oxolan-2-yl]butan-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 124733118
3-(oxan-2-yl)-1-quinolin-5-ylpropan-1-ol
CID 115826333
1-[(2S)-2-hydroxy-2-(2-methylphenyl)ethyl]-3-[(2R)-4-[(2R)-oxolan-2-yl]butan-2-yl]urea
CID 95767331
(Z)-N-[4-(methylcarbamoylamino)phenyl]-3-quinolin-4-ylprop-2-enamide
CID 97359293
3-ethyl-2,4-dioxo-N-[(2R)-4-[(2R)-oxolan-2-yl]butan-2-yl]-1H-quinazoline-7-carboxamide
CID 52508013

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(2R)-4-[(2R)-oxolan-2-yl]butan-2-yl]-3-quinolin-4-ylprop-2-enamide?
The IUPAC name of (E)-N-[(2R)-4-[(2R)-oxolan-2-yl]butan-2-yl]-3-quinolin-4-ylprop-2-enamide (CID 95629687) is (E)-N-[(2R)-4-[(2R)-oxolan-2-yl]butan-2-yl]-3-quinolin-4-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[(2R)-4-[(2R)-oxolan-2-yl]butan-2-yl]-3-quinolin-4-ylprop-2-enamide?
The canonical SMILES for (E)-N-[(2R)-4-[(2R)-oxolan-2-yl]butan-2-yl]-3-quinolin-4-ylprop-2-enamide is C[C@H](CC[C@@H]1CCCO1)NC(=O)/C=C/c1ccnc2ccccc12.
What is the InChIKey of (E)-N-[(2R)-4-[(2R)-oxolan-2-yl]butan-2-yl]-3-quinolin-4-ylprop-2-enamide?
The InChIKey is OUAATNTVCPGAJT-XLZHNJQLSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-15(8-10-17-5-4-14-24-17)22-20(23)11-9-16-12-13-21-19-7-3-2-6-18(16)19/h2-3,6-7,9,11-13,15,17H,4-5,8,10,14H2,1H3,(H,22,23)/b11-9+/t15-,17+/m1/s1.
What are the key properties of (E)-N-[(2R)-4-[(2R)-oxolan-2-yl]butan-2-yl]-3-quinolin-4-ylprop-2-enamide?
(E)-N-[(2R)-4-[(2R)-oxolan-2-yl]butan-2-yl]-3-quinolin-4-ylprop-2-enamide has a molecular weight of 324.42 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(2R)-4-[(2R)-oxolan-2-yl]butan-2-yl]-3-quinolin-4-ylprop-2-enamide is sourced from PubChem (CID 95629687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).