(E)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-3-quinolin-8-ylprop-2-enamide

C18H22N2O3 — CID 110003116

IUPAC(E)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-3-quinolin-8-ylprop-2-enamide
SMILESCOCC(C)(CCO)NC(=O)/C=C/c1cccc2cccnc12
InChIInChI=1S/C18H22N2O3/c1-18(10-12-21,13-23-2)20-16(22)9-8-15-6-3-5-14-7-4-11-19-17(14)15/h3-9,11,21H,10,12-13H2,1-2H3,(H,20,22)/b9-8+
InChIKeyZNUSPVAVIDWTTL-CMDGGOBGSA-N
MW314.38 g/mol
LogP2.15
Rot. Bonds7

About (E)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-3-quinolin-8-ylprop-2-enamide

(E)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-3-quinolin-8-ylprop-2-enamide (PubChem CID 110003116) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is (E)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-3-quinolin-8-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-3-quinolin-8-ylprop-2-enamide
PubChem CID110003116
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC Name(E)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-3-quinolin-8-ylprop-2-enamide
SMILESCOCC(C)(CCO)NC(=O)/C=C/c1cccc2cccnc12
InChIInChI=1S/C18H22N2O3/c1-18(10-12-21,13-23-2)20-16(22)9-8-15-6-3-5-14-7-4-11-19-17(14)15/h3-9,11,21H,10,12-13H2,1-2H3,(H,20,22)/b9-8+
InChIKeyZNUSPVAVIDWTTL-CMDGGOBGSA-N
XLogP2.15
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 52.15
H-Bond Donors ≤ 52
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-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-3-phenylprop-2-enamide
CID 110002768
methyl 4-[[(E)-3-quinolin-8-ylprop-2-enoyl]amino]benzoate
CID 24623415
(E)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-3-(1-methylindol-3-yl)prop-2-enamide
CID 110002949
methyl (2S,3S)-3-methyl-2-[[(E)-3-quinolin-8-ylprop-2-enoyl]amino]pentanoate
CID 47084216
(3,3-dimethyl-2-oxobutyl) (E)-3-quinolin-8-ylprop-2-enoate
CID 16607648
4-methoxy-3-methyl-3-[(2-quinolin-8-ylacetyl)amino]butanoic acid
CID 120532391
methyl 3-methyl-4-[[(E)-3-quinolin-8-ylprop-2-enoyl]amino]benzoate
CID 134039289
(E)-N-[3-(hydroxymethyl)phenyl]-3-quinolin-8-ylprop-2-enamide
CID 110883145
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-quinolin-8-ylprop-2-enamide
CID 111520087
(E)-N'-(2-phenylacetyl)-3-quinolin-8-ylprop-2-enehydrazide
CID 24623966
(E)-N-(2-ethyl-6-methylphenyl)-3-quinolin-8-ylprop-2-enamide
CID 51335179
N-methyl-3-[[(E)-3-quinolin-8-ylprop-2-enoyl]amino]benzamide
CID 51333826

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-3-quinolin-8-ylprop-2-enamide?
The IUPAC name of (E)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-3-quinolin-8-ylprop-2-enamide (CID 110003116) is (E)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-3-quinolin-8-ylprop-2-enamide.
What is the SMILES notation for (E)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-3-quinolin-8-ylprop-2-enamide?
The canonical SMILES for (E)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-3-quinolin-8-ylprop-2-enamide is COCC(C)(CCO)NC(=O)/C=C/c1cccc2cccnc12.
What is the InChIKey of (E)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-3-quinolin-8-ylprop-2-enamide?
The InChIKey is ZNUSPVAVIDWTTL-CMDGGOBGSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-18(10-12-21,13-23-2)20-16(22)9-8-15-6-3-5-14-7-4-11-19-17(14)15/h3-9,11,21H,10,12-13H2,1-2H3,(H,20,22)/b9-8+.
What are the key properties of (E)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-3-quinolin-8-ylprop-2-enamide?
(E)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-3-quinolin-8-ylprop-2-enamide has a molecular weight of 314.38 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-3-quinolin-8-ylprop-2-enamide is sourced from PubChem (CID 110003116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).