N-quinolin-3-yl-3-thiophen-3-ylpropanamide

C16H14N2OS — CID 29330989

IUPACN-quinolin-3-yl-3-thiophen-3-ylpropanamide
SMILESO=C(CCc1ccsc1)Nc1cnc2ccccc2c1
InChIInChI=1S/C16H14N2OS/c19-16(6-5-12-7-8-20-11-12)18-14-9-13-3-1-2-4-15(13)17-10-14/h1-4,7-11H,5-6H2,(H,18,19)
InChIKeyWZMFBSGLADRQME-UHFFFAOYSA-N
MW282.37 g/mol
LogP3.87
Rot. Bonds4

About N-quinolin-3-yl-3-thiophen-3-ylpropanamide

N-quinolin-3-yl-3-thiophen-3-ylpropanamide (PubChem CID 29330989) has the molecular formula C16H14N2OS and a molecular weight of 282.37 g/mol. Its IUPAC name is N-quinolin-3-yl-3-thiophen-3-ylpropanamide.

Molecular Properties

Compound NameN-quinolin-3-yl-3-thiophen-3-ylpropanamide
PubChem CID29330989
Molecular FormulaC16H14N2OS
Molecular Weight282.37 g/mol
Exact Mass282.08
IUPAC NameN-quinolin-3-yl-3-thiophen-3-ylpropanamide
SMILESO=C(CCc1ccsc1)Nc1cnc2ccccc2c1
InChIInChI=1S/C16H14N2OS/c19-16(6-5-12-7-8-20-11-12)18-14-9-13-3-1-2-4-15(13)17-10-14/h1-4,7-11H,5-6H2,(H,18,19)
InChIKeyWZMFBSGLADRQME-UHFFFAOYSA-N
XLogP3.87
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethylpropane;3-phenyl-N-quinolin-3-ylpropanamide
CID 91168668
3-(4-pentylphenyl)-N-quinolin-3-ylpropanamide
CID 11725197
4-oxo-4-(quinolin-3-ylamino)butanoic acid
CID 861757
3-phenyl-N-(quinolin-3-ylcarbamoyl)propanamide
CID 69378485
3-phenyl-N'-quinolin-3-ylpropanehydrazide
CID 71618065
3-[4-[methyl(pentyl)amino]phenyl]-N-quinolin-3-ylpropanamide
CID 66815460
3-(4-piperidin-1-ylsulfonylphenyl)-N-quinolin-3-ylpropanamide
CID 29330338
2-(4-acetamidophenyl)-N-quinolin-3-ylacetamide
CID 18146526
4-(4-chlorophenyl)-4-oxo-N-quinolin-3-ylbutanamide
CID 32837503
[2-(naphthalen-2-ylamino)-2-oxoethyl] 3-thiophen-3-ylpropanoate
CID 8610634
3-methyl-N-[4-(3-thiophen-3-ylpropanoylamino)phenyl]butanamide
CID 33034707
3-[3-nitro-4-[(2,2,2-trifluoroacetyl)amino]phenyl]-N-quinolin-3-ylpropanamide
CID 19038210

Frequently Asked Questions

What is the IUPAC name of N-quinolin-3-yl-3-thiophen-3-ylpropanamide?
The IUPAC name of N-quinolin-3-yl-3-thiophen-3-ylpropanamide (CID 29330989) is N-quinolin-3-yl-3-thiophen-3-ylpropanamide.
What is the SMILES notation for N-quinolin-3-yl-3-thiophen-3-ylpropanamide?
The canonical SMILES for N-quinolin-3-yl-3-thiophen-3-ylpropanamide is O=C(CCc1ccsc1)Nc1cnc2ccccc2c1.
What is the InChIKey of N-quinolin-3-yl-3-thiophen-3-ylpropanamide?
The InChIKey is WZMFBSGLADRQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2OS/c19-16(6-5-12-7-8-20-11-12)18-14-9-13-3-1-2-4-15(13)17-10-14/h1-4,7-11H,5-6H2,(H,18,19).
What are the key properties of N-quinolin-3-yl-3-thiophen-3-ylpropanamide?
N-quinolin-3-yl-3-thiophen-3-ylpropanamide has a molecular weight of 282.37 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-quinolin-3-yl-3-thiophen-3-ylpropanamide is sourced from PubChem (CID 29330989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).