quinolin-7-yl(1,3-thiazol-4-yl)methanone

C13H8N2OS — CID 81220206

IUPACquinolin-7-yl(1,3-thiazol-4-yl)methanone
SMILESO=C(c1ccc2cccnc2c1)c1cscn1
InChIInChI=1S/C13H8N2OS/c16-13(12-7-17-8-15-12)10-4-3-9-2-1-5-14-11(9)6-10/h1-8H
InChIKeyUIAFMCGKXBEYIX-UHFFFAOYSA-N
MW240.29 g/mol
LogP2.92
Rot. Bonds2

About quinolin-7-yl(1,3-thiazol-4-yl)methanone

quinolin-7-yl(1,3-thiazol-4-yl)methanone (PubChem CID 81220206) has the molecular formula C13H8N2OS and a molecular weight of 240.29 g/mol. Its IUPAC name is quinolin-7-yl(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Namequinolin-7-yl(1,3-thiazol-4-yl)methanone
PubChem CID81220206
Molecular FormulaC13H8N2OS
Molecular Weight240.29 g/mol
Exact Mass240.04
IUPAC Namequinolin-7-yl(1,3-thiazol-4-yl)methanone
SMILESO=C(c1ccc2cccnc2c1)c1cscn1
InChIInChI=1S/C13H8N2OS/c16-13(12-7-17-8-15-12)10-4-3-9-2-1-5-14-11(9)6-10/h1-8H
InChIKeyUIAFMCGKXBEYIX-UHFFFAOYSA-N
XLogP2.92
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.29
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-aminophenyl)-quinolin-7-ylmethanone
CID 116548753
1-quinolin-7-ylprop-2-en-1-one
CID 103453564
1-benzothiophen-2-yl(quinolin-7-yl)methanone
CID 115791003
(6-methoxypyrimidin-4-yl)-quinolin-7-ylmethanone
CID 102950015
(2-fluorophenyl)-quinolin-7-ylmethanone
CID 81220480
(5-methylfuran-3-yl)-quinolin-7-ylmethanone
CID 115790931
(4,5-dimethylthiophen-2-yl)-quinolin-7-ylmethanone
CID 115790953
2-amino-2-methyl-1-quinolin-7-ylpropan-1-one
CID 116560118
N-quinolin-6-yl-1,3-thiazole-4-carboxamide
CID 63047708
(2-amino-5-bromophenyl)-quinolin-7-ylmethanone
CID 82704143
quinolin-7-yl-(2,4,5-trimethylfuran-3-yl)methanone
CID 115790977
(4-fluoro-3-methoxyphenyl)-quinolin-7-ylmethanone
CID 115790996

Frequently Asked Questions

What is the IUPAC name of quinolin-7-yl(1,3-thiazol-4-yl)methanone?
The IUPAC name of quinolin-7-yl(1,3-thiazol-4-yl)methanone (CID 81220206) is quinolin-7-yl(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for quinolin-7-yl(1,3-thiazol-4-yl)methanone?
The canonical SMILES for quinolin-7-yl(1,3-thiazol-4-yl)methanone is O=C(c1ccc2cccnc2c1)c1cscn1.
What is the InChIKey of quinolin-7-yl(1,3-thiazol-4-yl)methanone?
The InChIKey is UIAFMCGKXBEYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N2OS/c16-13(12-7-17-8-15-12)10-4-3-9-2-1-5-14-11(9)6-10/h1-8H.
What are the key properties of quinolin-7-yl(1,3-thiazol-4-yl)methanone?
quinolin-7-yl(1,3-thiazol-4-yl)methanone has a molecular weight of 240.29 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for quinolin-7-yl(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 81220206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).