(3-chloro-4-methylthiophen-2-yl)-quinolin-8-ylmethanone

C15H10ClNOS — CID 103407845

IUPAC(3-chloro-4-methylthiophen-2-yl)-quinolin-8-ylmethanone
SMILESCc1csc(C(=O)c2cccc3cccnc23)c1Cl
InChIInChI=1S/C15H10ClNOS/c1-9-8-19-15(12(9)16)14(18)11-6-2-4-10-5-3-7-17-13(10)11/h2-8H,1H3
InChIKeyPYFKPLBMMQBIED-UHFFFAOYSA-N
MW287.77 g/mol
LogP4.49
Rot. Bonds2

About (3-chloro-4-methylthiophen-2-yl)-quinolin-8-ylmethanone

(3-chloro-4-methylthiophen-2-yl)-quinolin-8-ylmethanone (PubChem CID 103407845) has the molecular formula C15H10ClNOS and a molecular weight of 287.77 g/mol. Its IUPAC name is (3-chloro-4-methylthiophen-2-yl)-quinolin-8-ylmethanone.

Molecular Properties

Compound Name(3-chloro-4-methylthiophen-2-yl)-quinolin-8-ylmethanone
PubChem CID103407845
Molecular FormulaC15H10ClNOS
Molecular Weight287.77 g/mol
Exact Mass287.02
IUPAC Name(3-chloro-4-methylthiophen-2-yl)-quinolin-8-ylmethanone
SMILESCc1csc(C(=O)c2cccc3cccnc23)c1Cl
InChIInChI=1S/C15H10ClNOS/c1-9-8-19-15(12(9)16)14(18)11-6-2-4-10-5-3-7-17-13(10)11/h2-8H,1H3
InChIKeyPYFKPLBMMQBIED-UHFFFAOYSA-N
XLogP4.49
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.77
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

pyrimidin-2-yl(quinolin-8-yl)methanone
CID 81220703
(2,4-dimethylphenyl)-quinolin-8-ylmethanone
CID 115604843
(3-chloro-4-methylthiophen-2-yl)-quinolin-3-ylmethanone
CID 103407440
(5-chlorofuran-2-yl)-quinolin-8-ylmethanone
CID 106691206
(2,4-dichlorophenyl)-quinolin-8-ylmethanone
CID 115604879
2-(2,3-dichlorophenyl)-1-quinolin-8-ylethanone
CID 107311695
[2-(1-aminoethyl)-1,3-thiazol-4-yl]-quinolin-8-ylmethanone
CID 116585816
(2-ethylphenyl)-quinolin-8-ylmethanone
CID 115790630
(2,5-dimethylfuran-3-yl)-quinolin-8-ylmethanone
CID 113230028
palladium;quinoline-8-carboxylic acid
CID 174945118
(4-tert-butylphenyl)-quinolin-8-ylmethanone
CID 102581511
(2-methoxyphenyl)-quinolin-8-ylmethanone
CID 81215631

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methylthiophen-2-yl)-quinolin-8-ylmethanone?
The IUPAC name of (3-chloro-4-methylthiophen-2-yl)-quinolin-8-ylmethanone (CID 103407845) is (3-chloro-4-methylthiophen-2-yl)-quinolin-8-ylmethanone.
What is the SMILES notation for (3-chloro-4-methylthiophen-2-yl)-quinolin-8-ylmethanone?
The canonical SMILES for (3-chloro-4-methylthiophen-2-yl)-quinolin-8-ylmethanone is Cc1csc(C(=O)c2cccc3cccnc23)c1Cl.
What is the InChIKey of (3-chloro-4-methylthiophen-2-yl)-quinolin-8-ylmethanone?
The InChIKey is PYFKPLBMMQBIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClNOS/c1-9-8-19-15(12(9)16)14(18)11-6-2-4-10-5-3-7-17-13(10)11/h2-8H,1H3.
What are the key properties of (3-chloro-4-methylthiophen-2-yl)-quinolin-8-ylmethanone?
(3-chloro-4-methylthiophen-2-yl)-quinolin-8-ylmethanone has a molecular weight of 287.77 g/mol, XLogP of 4.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methylthiophen-2-yl)-quinolin-8-ylmethanone is sourced from PubChem (CID 103407845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).