4-[(6-fluoro-2,3-dimethylquinolin-4-yl)oxymethyl]-2-[(1S)-1-methoxyethyl]-1,3-thiazole

C18H19FN2O2S — CID 99785747

IUPAC4-[(6-fluoro-2,3-dimethylquinolin-4-yl)oxymethyl]-2-[(1S)-1-methoxyethyl]-1,3-thiazole
SMILESCO[C@@H](C)c1nc(COc2c(C)c(C)nc3ccc(F)cc23)cs1
InChIInChI=1S/C18H19FN2O2S/c1-10-11(2)20-16-6-5-13(19)7-15(16)17(10)23-8-14-9-24-18(21-14)12(3)22-4/h5-7,9,12H,8H2,1-4H3/t12-/m0/s1
InChIKeySRLFTJVECPNMHK-LBPRGKRZSA-N
MW346.43 g/mol
LogP4.73
Rot. Bonds5

About 4-[(6-fluoro-2,3-dimethylquinolin-4-yl)oxymethyl]-2-[(1S)-1-methoxyethyl]-1,3-thiazole

4-[(6-fluoro-2,3-dimethylquinolin-4-yl)oxymethyl]-2-[(1S)-1-methoxyethyl]-1,3-thiazole (PubChem CID 99785747) has the molecular formula C18H19FN2O2S and a molecular weight of 346.43 g/mol. Its IUPAC name is 4-[(6-fluoro-2,3-dimethylquinolin-4-yl)oxymethyl]-2-[(1S)-1-methoxyethyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[(6-fluoro-2,3-dimethylquinolin-4-yl)oxymethyl]-2-[(1S)-1-methoxyethyl]-1,3-thiazole
PubChem CID99785747
Molecular FormulaC18H19FN2O2S
Molecular Weight346.43 g/mol
Exact Mass346.12
IUPAC Name4-[(6-fluoro-2,3-dimethylquinolin-4-yl)oxymethyl]-2-[(1S)-1-methoxyethyl]-1,3-thiazole
SMILESCO[C@@H](C)c1nc(COc2c(C)c(C)nc3ccc(F)cc23)cs1
InChIInChI=1S/C18H19FN2O2S/c1-10-11(2)20-16-6-5-13(19)7-15(16)17(10)23-8-14-9-24-18(21-14)12(3)22-4/h5-7,9,12H,8H2,1-4H3/t12-/m0/s1
InChIKeySRLFTJVECPNMHK-LBPRGKRZSA-N
XLogP4.73
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-fluoro-2,3-dimethylquinolin-4-yl)oxymethyl]-2-[(1S)-1-methoxyethyl]-1,3-thiazole?
The IUPAC name of 4-[(6-fluoro-2,3-dimethylquinolin-4-yl)oxymethyl]-2-[(1S)-1-methoxyethyl]-1,3-thiazole (CID 99785747) is 4-[(6-fluoro-2,3-dimethylquinolin-4-yl)oxymethyl]-2-[(1S)-1-methoxyethyl]-1,3-thiazole.
What is the SMILES notation for 4-[(6-fluoro-2,3-dimethylquinolin-4-yl)oxymethyl]-2-[(1S)-1-methoxyethyl]-1,3-thiazole?
The canonical SMILES for 4-[(6-fluoro-2,3-dimethylquinolin-4-yl)oxymethyl]-2-[(1S)-1-methoxyethyl]-1,3-thiazole is CO[C@@H](C)c1nc(COc2c(C)c(C)nc3ccc(F)cc23)cs1.
What is the InChIKey of 4-[(6-fluoro-2,3-dimethylquinolin-4-yl)oxymethyl]-2-[(1S)-1-methoxyethyl]-1,3-thiazole?
The InChIKey is SRLFTJVECPNMHK-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H19FN2O2S/c1-10-11(2)20-16-6-5-13(19)7-15(16)17(10)23-8-14-9-24-18(21-14)12(3)22-4/h5-7,9,12H,8H2,1-4H3/t12-/m0/s1.
What are the key properties of 4-[(6-fluoro-2,3-dimethylquinolin-4-yl)oxymethyl]-2-[(1S)-1-methoxyethyl]-1,3-thiazole?
4-[(6-fluoro-2,3-dimethylquinolin-4-yl)oxymethyl]-2-[(1S)-1-methoxyethyl]-1,3-thiazole has a molecular weight of 346.43 g/mol, XLogP of 4.73, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-fluoro-2,3-dimethylquinolin-4-yl)oxymethyl]-2-[(1S)-1-methoxyethyl]-1,3-thiazole is sourced from PubChem (CID 99785747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).