[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl quinoline-2-carboxylate

C21H16N2O3S — CID 7813125

IUPAC[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl quinoline-2-carboxylate
SMILESCOc1ccc(-c2nc(COC(=O)c3ccc4ccccc4n3)cs2)cc1
InChIInChI=1S/C21H16N2O3S/c1-25-17-9-6-15(7-10-17)20-22-16(13-27-20)12-26-21(24)19-11-8-14-4-2-3-5-18(14)23-19/h2-11,13H,12H2,1H3
InChIKeyHTERLJJAZAAEGR-UHFFFAOYSA-N
MW376.44 g/mol
LogP4.72
Rot. Bonds5

About [2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl quinoline-2-carboxylate

[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl quinoline-2-carboxylate (PubChem CID 7813125) has the molecular formula C21H16N2O3S and a molecular weight of 376.44 g/mol. Its IUPAC name is [2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl quinoline-2-carboxylate.

Molecular Properties

Compound Name[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl quinoline-2-carboxylate
PubChem CID7813125
Molecular FormulaC21H16N2O3S
Molecular Weight376.44 g/mol
Exact Mass376.09
IUPAC Name[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl quinoline-2-carboxylate
SMILESCOc1ccc(-c2nc(COC(=O)c3ccc4ccccc4n3)cs2)cc1
InChIInChI=1S/C21H16N2O3S/c1-25-17-9-6-15(7-10-17)20-22-16(13-27-20)12-26-21(24)19-11-8-14-4-2-3-5-18(14)23-19/h2-11,13H,12H2,1H3
InChIKeyHTERLJJAZAAEGR-UHFFFAOYSA-N
XLogP4.72
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl quinoline-2-carboxylate
CID 7813128
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 1-benzofuran-2-carboxylate
CID 7194143
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2,3,4,5,6-pentamethylbenzoate
CID 7235569
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
CID 24522758
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(4-methoxyphenoxy)propanoate
CID 46545324
(2-propyl-1,3-thiazol-4-yl)methyl 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 55570949
[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl naphthalene-2-carboxylate
CID 7697717
[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl pyridine-2-carboxylate
CID 7776653
(4-phenylphenyl)methyl quinoline-2-carboxylate
CID 4968223
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3-(dimethylamino)benzoate
CID 7667639
[2-(4-methoxyphenyl)-2-oxoethyl] quinoline-2-carboxylate
CID 805957
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
CID 7186993

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl quinoline-2-carboxylate?
The IUPAC name of [2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl quinoline-2-carboxylate (CID 7813125) is [2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl quinoline-2-carboxylate.
What is the SMILES notation for [2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl quinoline-2-carboxylate?
The canonical SMILES for [2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl quinoline-2-carboxylate is COc1ccc(-c2nc(COC(=O)c3ccc4ccccc4n3)cs2)cc1.
What is the InChIKey of [2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl quinoline-2-carboxylate?
The InChIKey is HTERLJJAZAAEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O3S/c1-25-17-9-6-15(7-10-17)20-22-16(13-27-20)12-26-21(24)19-11-8-14-4-2-3-5-18(14)23-19/h2-11,13H,12H2,1H3.
What are the key properties of [2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl quinoline-2-carboxylate?
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl quinoline-2-carboxylate has a molecular weight of 376.44 g/mol, XLogP of 4.72, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl quinoline-2-carboxylate is sourced from PubChem (CID 7813125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).