2-(5-chlorothiophen-2-yl)-1-quinolin-8-ylethanone

C15H10ClNOS — CID 105089007

IUPAC2-(5-chlorothiophen-2-yl)-1-quinolin-8-ylethanone
SMILESO=C(Cc1ccc(Cl)s1)c1cccc2cccnc12
InChIInChI=1S/C15H10ClNOS/c16-14-7-6-11(19-14)9-13(18)12-5-1-3-10-4-2-8-17-15(10)12/h1-8H,9H2
InChIKeyPBKYEBNEPMZJIX-UHFFFAOYSA-N
MW287.77 g/mol
LogP4.38
Rot. Bonds3

About 2-(5-chlorothiophen-2-yl)-1-quinolin-8-ylethanone

2-(5-chlorothiophen-2-yl)-1-quinolin-8-ylethanone (PubChem CID 105089007) has the molecular formula C15H10ClNOS and a molecular weight of 287.77 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-1-quinolin-8-ylethanone.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-1-quinolin-8-ylethanone
PubChem CID105089007
Molecular FormulaC15H10ClNOS
Molecular Weight287.77 g/mol
Exact Mass287.02
IUPAC Name2-(5-chlorothiophen-2-yl)-1-quinolin-8-ylethanone
SMILESO=C(Cc1ccc(Cl)s1)c1cccc2cccnc12
InChIInChI=1S/C15H10ClNOS/c16-14-7-6-11(19-14)9-13(18)12-5-1-3-10-4-2-8-17-15(10)12/h1-8H,9H2
InChIKeyPBKYEBNEPMZJIX-UHFFFAOYSA-N
XLogP4.38
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.77
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dichlorophenyl)-1-quinolin-8-ylethanone
CID 107311695
2-phenyl-1-quinolin-8-ylethanone
CID 10999362
2-(2-chloro-3-fluorophenyl)-1-quinolin-8-ylethanone
CID 105127133
2-(2,5-dichlorophenyl)-1-quinolin-8-ylethanone
CID 105102618
2-(4-iodophenyl)-1-quinolin-8-ylethanone
CID 105103153
2-(2,3-difluorophenyl)-1-quinolin-8-ylethanone
CID 115790827
1-(3-bromo-2-methylphenyl)-2-(5-chlorothiophen-2-yl)ethanone
CID 114967563
N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enyl-2-quinolin-8-ylacetamide
CID 55488341
2-(3-aminophenyl)-1-quinolin-8-ylethanone
CID 116577224
2-(5-bromothiophen-2-yl)-1-quinoxalin-5-ylethanone
CID 105088874
palladium;quinoline-8-carboxylic acid
CID 174945118
2-ethylsulfanyl-1-quinolin-8-ylethanone
CID 81220485

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-1-quinolin-8-ylethanone?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-1-quinolin-8-ylethanone (CID 105089007) is 2-(5-chlorothiophen-2-yl)-1-quinolin-8-ylethanone.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-1-quinolin-8-ylethanone?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-1-quinolin-8-ylethanone is O=C(Cc1ccc(Cl)s1)c1cccc2cccnc12.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-1-quinolin-8-ylethanone?
The InChIKey is PBKYEBNEPMZJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClNOS/c16-14-7-6-11(19-14)9-13(18)12-5-1-3-10-4-2-8-17-15(10)12/h1-8H,9H2.
What are the key properties of 2-(5-chlorothiophen-2-yl)-1-quinolin-8-ylethanone?
2-(5-chlorothiophen-2-yl)-1-quinolin-8-ylethanone has a molecular weight of 287.77 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-1-quinolin-8-ylethanone is sourced from PubChem (CID 105089007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).