2-(2-phenylquinolin-4-yl)-1-thiophen-2-ylethanone

C21H15NOS — CID 135034497

IUPAC2-(2-phenylquinolin-4-yl)-1-thiophen-2-ylethanone
SMILESO=C(Cc1cc(-c2ccccc2)nc2ccccc12)c1cccs1
InChIInChI=1S/C21H15NOS/c23-20(21-11-6-12-24-21)14-16-13-19(15-7-2-1-3-8-15)22-18-10-5-4-9-17(16)18/h1-13H,14H2
InChIKeyCGPDMSUWKCOODU-UHFFFAOYSA-N
MW329.42 g/mol
LogP5.39
Rot. Bonds4

About 2-(2-phenylquinolin-4-yl)-1-thiophen-2-ylethanone

2-(2-phenylquinolin-4-yl)-1-thiophen-2-ylethanone (PubChem CID 135034497) has the molecular formula C21H15NOS and a molecular weight of 329.42 g/mol. Its IUPAC name is 2-(2-phenylquinolin-4-yl)-1-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-(2-phenylquinolin-4-yl)-1-thiophen-2-ylethanone
PubChem CID135034497
Molecular FormulaC21H15NOS
Molecular Weight329.42 g/mol
Exact Mass329.09
IUPAC Name2-(2-phenylquinolin-4-yl)-1-thiophen-2-ylethanone
SMILESO=C(Cc1cc(-c2ccccc2)nc2ccccc12)c1cccs1
InChIInChI=1S/C21H15NOS/c23-20(21-11-6-12-24-21)14-16-13-19(15-7-2-1-3-8-15)22-18-10-5-4-9-17(16)18/h1-13H,14H2
InChIKeyCGPDMSUWKCOODU-UHFFFAOYSA-N
XLogP5.39
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.42
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylbutyl)-2-thien-2-ylquinoline-4-carboxamide
CID 4227699
N-[2-(diethylamino)ethyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 2052939
2-(Thiophen-2-yl)quinoline-4-carbohydrazide
CID 5102481
N-(3-cyanothiophen-2-yl)-2-methylquinoline-4-carboxamide
CID 2525578
2-methyl-N-[(E)-1-thiophen-2-ylethylideneamino]quinoline-4-carboxamide
CID 9654405
3-methyl-2-(4-methylphenyl)-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide
CID 1011328
N-(4-bromophenyl)-2-(2-thienyl)-4-quinolinecarboxamide
CID 1216528
N-{4-[(acetylamino)sulfonyl]phenyl}-2-(2-thienyl)-4-quinolinecarboxamide
CID 1222926
N-(4-sulfamoylphenyl)-2-(thiophen-2-yl)quinoline-4-carboxamide
CID 3368053
N-{3-[butyl(methyl)amino]propyl}-2-thien-2-ylquinoline-4-carboxamide
CID 22422668
(E)-3-(2-chloro-6-methyl-3-quinolyl)-1-(3-thienyl)prop-2-en-1-one
CID 45258773
(E)-3-(2-chloro-6-methyl-3-quinolyl)-1-(3-methyl-2-thienyl)prop-2-en-1-one
CID 45258774

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylquinolin-4-yl)-1-thiophen-2-ylethanone?
The IUPAC name of 2-(2-phenylquinolin-4-yl)-1-thiophen-2-ylethanone (CID 135034497) is 2-(2-phenylquinolin-4-yl)-1-thiophen-2-ylethanone.
What is the SMILES notation for 2-(2-phenylquinolin-4-yl)-1-thiophen-2-ylethanone?
The canonical SMILES for 2-(2-phenylquinolin-4-yl)-1-thiophen-2-ylethanone is O=C(Cc1cc(-c2ccccc2)nc2ccccc12)c1cccs1.
What is the InChIKey of 2-(2-phenylquinolin-4-yl)-1-thiophen-2-ylethanone?
The InChIKey is CGPDMSUWKCOODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NOS/c23-20(21-11-6-12-24-21)14-16-13-19(15-7-2-1-3-8-15)22-18-10-5-4-9-17(16)18/h1-13H,14H2.
What are the key properties of 2-(2-phenylquinolin-4-yl)-1-thiophen-2-ylethanone?
2-(2-phenylquinolin-4-yl)-1-thiophen-2-ylethanone has a molecular weight of 329.42 g/mol, XLogP of 5.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylquinolin-4-yl)-1-thiophen-2-ylethanone is sourced from PubChem (CID 135034497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).