(8-fluoro-5-methyl-3,4-dihydro-2H-quinolin-1-yl)-[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methanone

C18H19FN2O2S — CID 122155919

IUPAC(8-fluoro-5-methyl-3,4-dihydro-2H-quinolin-1-yl)-[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methanone
SMILESCc1ccc(F)c2c1CCCN2C(=O)c1csc(C2CCCO2)n1
InChIInChI=1S/C18H19FN2O2S/c1-11-6-7-13(19)16-12(11)4-2-8-21(16)18(22)14-10-24-17(20-14)15-5-3-9-23-15/h6-7,10,15H,2-5,8-9H2,1H3
InChIKeyHFYWBGQOIWFMCP-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.04
Rot. Bonds2

About (8-fluoro-5-methyl-3,4-dihydro-2H-quinolin-1-yl)-[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methanone

(8-fluoro-5-methyl-3,4-dihydro-2H-quinolin-1-yl)-[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methanone (PubChem CID 122155919) has the molecular formula C18H19FN2O2S and a molecular weight of 346.43 g/mol. Its IUPAC name is (8-fluoro-5-methyl-3,4-dihydro-2H-quinolin-1-yl)-[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methanone.

Molecular Properties

Compound Name(8-fluoro-5-methyl-3,4-dihydro-2H-quinolin-1-yl)-[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methanone
PubChem CID122155919
Molecular FormulaC18H19FN2O2S
Molecular Weight346.43 g/mol
Exact Mass346.12
IUPAC Name(8-fluoro-5-methyl-3,4-dihydro-2H-quinolin-1-yl)-[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methanone
SMILESCc1ccc(F)c2c1CCCN2C(=O)c1csc(C2CCCO2)n1
InChIInChI=1S/C18H19FN2O2S/c1-11-6-7-13(19)16-12(11)4-2-8-21(16)18(22)14-10-24-17(20-14)15-5-3-9-23-15/h6-7,10,15H,2-5,8-9H2,1H3
InChIKeyHFYWBGQOIWFMCP-UHFFFAOYSA-N
XLogP4.04
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (8-fluoro-5-methyl-3,4-dihydro-2H-quinolin-1-yl)-[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methanone?
The IUPAC name of (8-fluoro-5-methyl-3,4-dihydro-2H-quinolin-1-yl)-[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methanone (CID 122155919) is (8-fluoro-5-methyl-3,4-dihydro-2H-quinolin-1-yl)-[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methanone.
What is the SMILES notation for (8-fluoro-5-methyl-3,4-dihydro-2H-quinolin-1-yl)-[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methanone?
The canonical SMILES for (8-fluoro-5-methyl-3,4-dihydro-2H-quinolin-1-yl)-[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methanone is Cc1ccc(F)c2c1CCCN2C(=O)c1csc(C2CCCO2)n1.
What is the InChIKey of (8-fluoro-5-methyl-3,4-dihydro-2H-quinolin-1-yl)-[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methanone?
The InChIKey is HFYWBGQOIWFMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2S/c1-11-6-7-13(19)16-12(11)4-2-8-21(16)18(22)14-10-24-17(20-14)15-5-3-9-23-15/h6-7,10,15H,2-5,8-9H2,1H3.
What are the key properties of (8-fluoro-5-methyl-3,4-dihydro-2H-quinolin-1-yl)-[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methanone?
(8-fluoro-5-methyl-3,4-dihydro-2H-quinolin-1-yl)-[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methanone has a molecular weight of 346.43 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8-fluoro-5-methyl-3,4-dihydro-2H-quinolin-1-yl)-[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 122155919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).