(2-oxo-3,4-dihydro-1H-quinolin-6-yl) (E)-3-thiophen-2-ylprop-2-enoate

C16H13NO3S — CID 18209686

IUPAC(2-oxo-3,4-dihydro-1H-quinolin-6-yl) (E)-3-thiophen-2-ylprop-2-enoate
SMILESO=C1CCc2cc(OC(=O)/C=C/c3cccs3)ccc2N1
InChIInChI=1S/C16H13NO3S/c18-15-7-3-11-10-12(4-6-14(11)17-15)20-16(19)8-5-13-2-1-9-21-13/h1-2,4-6,8-10H,3,7H2,(H,17,18)/b8-5+
InChIKeyCDEXDRZIIZMNRD-VMPITWQZSA-N
MW299.35 g/mol
LogP3.25
Rot. Bonds3

About (2-oxo-3,4-dihydro-1H-quinolin-6-yl) (E)-3-thiophen-2-ylprop-2-enoate

(2-oxo-3,4-dihydro-1H-quinolin-6-yl) (E)-3-thiophen-2-ylprop-2-enoate (PubChem CID 18209686) has the molecular formula C16H13NO3S and a molecular weight of 299.35 g/mol. Its IUPAC name is (2-oxo-3,4-dihydro-1H-quinolin-6-yl) (E)-3-thiophen-2-ylprop-2-enoate.

Molecular Properties

Compound Name(2-oxo-3,4-dihydro-1H-quinolin-6-yl) (E)-3-thiophen-2-ylprop-2-enoate
PubChem CID18209686
Molecular FormulaC16H13NO3S
Molecular Weight299.35 g/mol
Exact Mass299.06
IUPAC Name(2-oxo-3,4-dihydro-1H-quinolin-6-yl) (E)-3-thiophen-2-ylprop-2-enoate
SMILESO=C1CCc2cc(OC(=O)/C=C/c3cccs3)ccc2N1
InChIInChI=1S/C16H13NO3S/c18-15-7-3-11-10-12(4-6-14(11)17-15)20-16(19)8-5-13-2-1-9-21-13/h1-2,4-6,8-10H,3,7H2,(H,17,18)/b8-5+
InChIKeyCDEXDRZIIZMNRD-VMPITWQZSA-N
XLogP3.25
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

naphthalen-2-yl (E)-3-thiophen-2-ylprop-2-enoate
CID 8886119
(4-methoxyphenyl) (E)-3-thiophen-2-ylprop-2-enoate
CID 137442894
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 3-(1,3-dioxoisoindol-2-yl)propanoate
CID 18205232
(3-acetylphenyl) (E)-3-thiophen-2-ylprop-2-enoate
CID 8840192
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 2-chloropropanoate
CID 57243759
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) hexanoate
CID 47140803
[(E)-3-thiophen-2-ylprop-2-enoyl] (E)-3-thiophen-2-ylprop-2-enoate
CID 100994517
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) N-chlorosulfonylcarbamate
CID 116799026
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 3-pyrrolidin-1-ylsulfonylbenzoate
CID 18275651
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 4-morpholin-4-ylbenzoate
CID 95047735
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 3,4-dimethoxybenzoate
CID 51329778
N-(4-fluorophenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-(thiophen-2-ylmethyl)acetamide
CID 55891421

Frequently Asked Questions

What is the IUPAC name of (2-oxo-3,4-dihydro-1H-quinolin-6-yl) (E)-3-thiophen-2-ylprop-2-enoate?
The IUPAC name of (2-oxo-3,4-dihydro-1H-quinolin-6-yl) (E)-3-thiophen-2-ylprop-2-enoate (CID 18209686) is (2-oxo-3,4-dihydro-1H-quinolin-6-yl) (E)-3-thiophen-2-ylprop-2-enoate.
What is the SMILES notation for (2-oxo-3,4-dihydro-1H-quinolin-6-yl) (E)-3-thiophen-2-ylprop-2-enoate?
The canonical SMILES for (2-oxo-3,4-dihydro-1H-quinolin-6-yl) (E)-3-thiophen-2-ylprop-2-enoate is O=C1CCc2cc(OC(=O)/C=C/c3cccs3)ccc2N1.
What is the InChIKey of (2-oxo-3,4-dihydro-1H-quinolin-6-yl) (E)-3-thiophen-2-ylprop-2-enoate?
The InChIKey is CDEXDRZIIZMNRD-VMPITWQZSA-N. The full InChI is InChI=1S/C16H13NO3S/c18-15-7-3-11-10-12(4-6-14(11)17-15)20-16(19)8-5-13-2-1-9-21-13/h1-2,4-6,8-10H,3,7H2,(H,17,18)/b8-5+.
What are the key properties of (2-oxo-3,4-dihydro-1H-quinolin-6-yl) (E)-3-thiophen-2-ylprop-2-enoate?
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) (E)-3-thiophen-2-ylprop-2-enoate has a molecular weight of 299.35 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-3,4-dihydro-1H-quinolin-6-yl) (E)-3-thiophen-2-ylprop-2-enoate is sourced from PubChem (CID 18209686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).