(E)-N-quinolin-3-yl-3-thiophen-2-ylprop-2-enamide

C16H12N2OS — CID 18146464

IUPAC(E)-N-quinolin-3-yl-3-thiophen-2-ylprop-2-enamide
SMILESO=C(/C=C/c1cccs1)Nc1cnc2ccccc2c1
InChIInChI=1S/C16H12N2OS/c19-16(8-7-14-5-3-9-20-14)18-13-10-12-4-1-2-6-15(12)17-11-13/h1-11H,(H,18,19)/b8-7+
InChIKeyDVOPHBAGAWFZSQ-BQYQJAHWSA-N
MW280.35 g/mol
LogP3.95
Rot. Bonds3

About (E)-N-quinolin-3-yl-3-thiophen-2-ylprop-2-enamide

(E)-N-quinolin-3-yl-3-thiophen-2-ylprop-2-enamide (PubChem CID 18146464) has the molecular formula C16H12N2OS and a molecular weight of 280.35 g/mol. Its IUPAC name is (E)-N-quinolin-3-yl-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-quinolin-3-yl-3-thiophen-2-ylprop-2-enamide
PubChem CID18146464
Molecular FormulaC16H12N2OS
Molecular Weight280.35 g/mol
Exact Mass280.07
IUPAC Name(E)-N-quinolin-3-yl-3-thiophen-2-ylprop-2-enamide
SMILESO=C(/C=C/c1cccs1)Nc1cnc2ccccc2c1
InChIInChI=1S/C16H12N2OS/c19-16(8-7-14-5-3-9-20-14)18-13-10-12-4-1-2-6-15(12)17-11-13/h1-11H,(H,18,19)/b8-7+
InChIKeyDVOPHBAGAWFZSQ-BQYQJAHWSA-N
XLogP3.95
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-naphthalen-2-yl-3-thiophen-2-ylprop-2-enamide
CID 3594199
3-phenyl-N-quinolin-3-ylprop-2-enamide
CID 4000416
(E)-N-quinoxalin-2-yl-3-thiophen-2-ylprop-2-enamide
CID 25061370
N-quinolin-3-yl-2-thiophen-2-ylsulfanylacetamide
CID 23972923
(E)-3-(1-benzofuran-2-yl)-N-quinolin-3-ylprop-2-enamide
CID 32840230
(E)-N-(4-hydroxyphenyl)-3-thiophen-2-ylprop-2-enamide
CID 28739526
(E)-3-(4-nitrophenyl)-N-quinolin-3-ylprop-2-enamide
CID 5372765
(E)-N-pyridin-3-yl-3-thiophen-2-ylprop-2-enamide
CID 879707
(E)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-thiophen-2-ylprop-2-enamide
CID 18151319
N-(3,5-dimethylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 922899
(E)-N-(2-pyrazol-1-ylpyrimidin-5-yl)-3-thiophen-2-ylprop-2-enamide
CID 122300255
N-[4-(1H-benzimidazol-2-yl)phenyl]-3-thiophen-2-ylprop-2-enamide
CID 3299542

Frequently Asked Questions

What is the IUPAC name of (E)-N-quinolin-3-yl-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-N-quinolin-3-yl-3-thiophen-2-ylprop-2-enamide (CID 18146464) is (E)-N-quinolin-3-yl-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-quinolin-3-yl-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-quinolin-3-yl-3-thiophen-2-ylprop-2-enamide is O=C(/C=C/c1cccs1)Nc1cnc2ccccc2c1.
What is the InChIKey of (E)-N-quinolin-3-yl-3-thiophen-2-ylprop-2-enamide?
The InChIKey is DVOPHBAGAWFZSQ-BQYQJAHWSA-N. The full InChI is InChI=1S/C16H12N2OS/c19-16(8-7-14-5-3-9-20-14)18-13-10-12-4-1-2-6-15(12)17-11-13/h1-11H,(H,18,19)/b8-7+.
What are the key properties of (E)-N-quinolin-3-yl-3-thiophen-2-ylprop-2-enamide?
(E)-N-quinolin-3-yl-3-thiophen-2-ylprop-2-enamide has a molecular weight of 280.35 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-quinolin-3-yl-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 18146464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).