(1-amino-1-oxopropan-2-yl) (E)-3-quinolin-8-ylprop-2-enoate

C15H14N2O3 — CID 16608019

IUPAC(1-amino-1-oxopropan-2-yl) (E)-3-quinolin-8-ylprop-2-enoate
SMILESCC(OC(=O)/C=C/c1cccc2cccnc12)C(N)=O
InChIInChI=1S/C15H14N2O3/c1-10(15(16)19)20-13(18)8-7-12-5-2-4-11-6-3-9-17-14(11)12/h2-10H,1H3,(H2,16,19)/b8-7+
InChIKeyYJODUANMYIQUIN-BQYQJAHWSA-N
MW270.29 g/mol
LogP1.66
Rot. Bonds4

About (1-amino-1-oxopropan-2-yl) (E)-3-quinolin-8-ylprop-2-enoate

(1-amino-1-oxopropan-2-yl) (E)-3-quinolin-8-ylprop-2-enoate (PubChem CID 16608019) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is (1-amino-1-oxopropan-2-yl) (E)-3-quinolin-8-ylprop-2-enoate.

Molecular Properties

Compound Name(1-amino-1-oxopropan-2-yl) (E)-3-quinolin-8-ylprop-2-enoate
PubChem CID16608019
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name(1-amino-1-oxopropan-2-yl) (E)-3-quinolin-8-ylprop-2-enoate
SMILESCC(OC(=O)/C=C/c1cccc2cccnc12)C(N)=O
InChIInChI=1S/C15H14N2O3/c1-10(15(16)19)20-13(18)8-7-12-5-2-4-11-6-3-9-17-14(11)12/h2-10H,1H3,(H2,16,19)/b8-7+
InChIKeyYJODUANMYIQUIN-BQYQJAHWSA-N
XLogP1.66
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1-amino-1-oxopropan-2-yl) (E)-3-quinolin-8-ylprop-2-enoate with MolForge

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Launch Full Analysis

Related Compounds

[1-(4-acetamidoanilino)-1-oxopropan-2-yl] (E)-3-quinolin-8-ylprop-2-enoate
CID 16607806
[1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] (E)-3-quinolin-8-ylprop-2-enoate
CID 55509264
[1-[(3-cyanothiophen-2-yl)amino]-1-oxopropan-2-yl] (E)-3-quinolin-8-ylprop-2-enoate
CID 16625788
[1-(2,4-dichloroanilino)-1-oxopropan-2-yl] (E)-3-quinolin-8-ylprop-2-enoate
CID 16607812
[1-(3-chloro-4-cyanoanilino)-1-oxopropan-2-yl] (E)-3-quinolin-8-ylprop-2-enoate
CID 16617923
(3,3-dimethyl-2-oxobutyl) (E)-3-quinolin-8-ylprop-2-enoate
CID 16607648
cyanomethyl (E)-3-quinolin-8-ylprop-2-enoate
CID 16607642
[1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] (E)-3-quinolin-8-ylprop-2-enoate
CID 16608234
[1-oxo-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-yl] (E)-3-quinolin-8-ylprop-2-enoate
CID 16608038
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] (E)-3-quinolin-8-ylprop-2-enoate
CID 16617741
[1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl] (E)-3-quinolin-8-ylprop-2-enoate
CID 16617730
[2-[4-(2-methylpropanoylamino)phenyl]-2-oxoethyl] (E)-3-quinolin-8-ylprop-2-enoate
CID 16617866

Frequently Asked Questions

What is the IUPAC name of (1-amino-1-oxopropan-2-yl) (E)-3-quinolin-8-ylprop-2-enoate?
The IUPAC name of (1-amino-1-oxopropan-2-yl) (E)-3-quinolin-8-ylprop-2-enoate (CID 16608019) is (1-amino-1-oxopropan-2-yl) (E)-3-quinolin-8-ylprop-2-enoate.
What is the SMILES notation for (1-amino-1-oxopropan-2-yl) (E)-3-quinolin-8-ylprop-2-enoate?
The canonical SMILES for (1-amino-1-oxopropan-2-yl) (E)-3-quinolin-8-ylprop-2-enoate is CC(OC(=O)/C=C/c1cccc2cccnc12)C(N)=O.
What is the InChIKey of (1-amino-1-oxopropan-2-yl) (E)-3-quinolin-8-ylprop-2-enoate?
The InChIKey is YJODUANMYIQUIN-BQYQJAHWSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-10(15(16)19)20-13(18)8-7-12-5-2-4-11-6-3-9-17-14(11)12/h2-10H,1H3,(H2,16,19)/b8-7+.
What are the key properties of (1-amino-1-oxopropan-2-yl) (E)-3-quinolin-8-ylprop-2-enoate?
(1-amino-1-oxopropan-2-yl) (E)-3-quinolin-8-ylprop-2-enoate has a molecular weight of 270.29 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-1-oxopropan-2-yl) (E)-3-quinolin-8-ylprop-2-enoate is sourced from PubChem (CID 16608019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).