3-(5-bromothiophen-2-yl)-N-quinolin-8-ylprop-2-enamide

C16H11BrN2OS — CID 78778651

IUPAC3-(5-bromothiophen-2-yl)-N-quinolin-8-ylprop-2-enamide
SMILESO=C(C=Cc1ccc(Br)s1)Nc1cccc2cccnc12
InChIInChI=1S/C16H11BrN2OS/c17-14-8-6-12(21-14)7-9-15(20)19-13-5-1-3-11-4-2-10-18-16(11)13/h1-10H,(H,19,20)
InChIKeyJFWZZZSTVGIIGM-UHFFFAOYSA-N
MW359.25 g/mol
LogP4.71
Rot. Bonds3

About 3-(5-bromothiophen-2-yl)-N-quinolin-8-ylprop-2-enamide

3-(5-bromothiophen-2-yl)-N-quinolin-8-ylprop-2-enamide (PubChem CID 78778651) has the molecular formula C16H11BrN2OS and a molecular weight of 359.25 g/mol. Its IUPAC name is 3-(5-bromothiophen-2-yl)-N-quinolin-8-ylprop-2-enamide.

Molecular Properties

Compound Name3-(5-bromothiophen-2-yl)-N-quinolin-8-ylprop-2-enamide
PubChem CID78778651
Molecular FormulaC16H11BrN2OS
Molecular Weight359.25 g/mol
Exact Mass357.98
IUPAC Name3-(5-bromothiophen-2-yl)-N-quinolin-8-ylprop-2-enamide
SMILESO=C(C=Cc1ccc(Br)s1)Nc1cccc2cccnc12
InChIInChI=1S/C16H11BrN2OS/c17-14-8-6-12(21-14)7-9-15(20)19-13-5-1-3-11-4-2-10-18-16(11)13/h1-10H,(H,19,20)
InChIKeyJFWZZZSTVGIIGM-UHFFFAOYSA-N
XLogP4.71
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.25
LogP ≤ 54.71
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

(E)-3-phenyl-N-quinolin-8-ylprop-2-enamide
CID 952598
(E)-3-(3-fluorophenyl)-N-quinolin-8-ylprop-2-enamide
CID 26123578
3-(5-methylfuran-2-yl)-N-quinolin-8-ylprop-2-enamide
CID 721179
2-N,5-N-di(quinolin-8-yl)thiophene-2,5-dicarboxamide
CID 23913298
(E)-3-(4-ethoxyphenyl)-N-quinolin-8-ylprop-2-enamide
CID 26123412
3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-quinolin-8-ylprop-2-enamide
CID 75618039
(E)-N-(3-bromophenyl)-3-(5-bromothiophen-2-yl)prop-2-enamide
CID 129245252
(E)-3-(5-methylthiophen-2-yl)-N-[2,2,2-trichloro-1-(quinolin-8-ylcarbamothioylamino)ethyl]prop-2-enamide
CID 178128236
(E)-3-(5-bromothiophen-2-yl)-N-(2-thiophen-2-ylphenyl)prop-2-enamide
CID 24568053
(E)-3-(5-bromothiophen-2-yl)-N-[2-(methoxymethyl)phenyl]prop-2-enamide
CID 55715150
N-(3-methylphenyl)-3-[(E)-3-oxo-3-(quinolin-8-ylamino)prop-1-enyl]benzamide
CID 159458220
5-[[(E)-3-(5-bromothiophen-2-yl)prop-2-enoyl]amino]thiophene-2-carboxylic acid
CID 43474334

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromothiophen-2-yl)-N-quinolin-8-ylprop-2-enamide?
The IUPAC name of 3-(5-bromothiophen-2-yl)-N-quinolin-8-ylprop-2-enamide (CID 78778651) is 3-(5-bromothiophen-2-yl)-N-quinolin-8-ylprop-2-enamide.
What is the SMILES notation for 3-(5-bromothiophen-2-yl)-N-quinolin-8-ylprop-2-enamide?
The canonical SMILES for 3-(5-bromothiophen-2-yl)-N-quinolin-8-ylprop-2-enamide is O=C(C=Cc1ccc(Br)s1)Nc1cccc2cccnc12.
What is the InChIKey of 3-(5-bromothiophen-2-yl)-N-quinolin-8-ylprop-2-enamide?
The InChIKey is JFWZZZSTVGIIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrN2OS/c17-14-8-6-12(21-14)7-9-15(20)19-13-5-1-3-11-4-2-10-18-16(11)13/h1-10H,(H,19,20).
What are the key properties of 3-(5-bromothiophen-2-yl)-N-quinolin-8-ylprop-2-enamide?
3-(5-bromothiophen-2-yl)-N-quinolin-8-ylprop-2-enamide has a molecular weight of 359.25 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromothiophen-2-yl)-N-quinolin-8-ylprop-2-enamide is sourced from PubChem (CID 78778651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).