(2-phenyl-1,3-thiazol-4-yl)methyl 2-(4-phenylphenyl)quinoline-4-carboxylate

C32H22N2O2S — CID 3907572

IUPAC(2-phenyl-1,3-thiazol-4-yl)methyl 2-(4-phenylphenyl)quinoline-4-carboxylate
SMILESO=C(OCc1csc(-c2ccccc2)n1)c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccccc12
InChIInChI=1S/C32H22N2O2S/c35-32(36-20-26-21-37-31(33-26)25-11-5-2-6-12-25)28-19-30(34-29-14-8-7-13-27(28)29)24-17-15-23(16-18-24)22-9-3-1-4-10-22/h1-19,21H,20H2
InChIKeyUOMDVGDEJQUSON-UHFFFAOYSA-N
MW498.61 g/mol
LogP8.05
Rot. Bonds6

About (2-phenyl-1,3-thiazol-4-yl)methyl 2-(4-phenylphenyl)quinoline-4-carboxylate

(2-phenyl-1,3-thiazol-4-yl)methyl 2-(4-phenylphenyl)quinoline-4-carboxylate (PubChem CID 3907572) has the molecular formula C32H22N2O2S and a molecular weight of 498.61 g/mol. Its IUPAC name is (2-phenyl-1,3-thiazol-4-yl)methyl 2-(4-phenylphenyl)quinoline-4-carboxylate.

Molecular Properties

Compound Name(2-phenyl-1,3-thiazol-4-yl)methyl 2-(4-phenylphenyl)quinoline-4-carboxylate
PubChem CID3907572
Molecular FormulaC32H22N2O2S
Molecular Weight498.61 g/mol
Exact Mass498.14
IUPAC Name(2-phenyl-1,3-thiazol-4-yl)methyl 2-(4-phenylphenyl)quinoline-4-carboxylate
SMILESO=C(OCc1csc(-c2ccccc2)n1)c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccccc12
InChIInChI=1S/C32H22N2O2S/c35-32(36-20-26-21-37-31(33-26)25-11-5-2-6-12-25)28-19-30(34-29-14-8-7-13-27(28)29)24-17-15-23(16-18-24)22-9-3-1-4-10-22/h1-19,21H,20H2
InChIKeyUOMDVGDEJQUSON-UHFFFAOYSA-N
XLogP8.05
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.61
LogP ≤ 58.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-phenyl-1,3-thiazol-4-yl)methyl 1,4-dihydroxynaphthalene-2-carboxylate
CID 2482716
(2-phenyl-1,3-thiazol-4-yl)methyl 2-oxo-1H-quinoline-4-carboxylate
CID 2387635
(2-phenyl-1,3-thiazol-4-yl)methyl anthracene-9-carboxylate
CID 7786495
2-oxopropyl 2-(4-phenylphenyl)quinoline-4-carboxylate
CID 3948184
[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-pyridin-4-ylquinoline-4-carboxylate
CID 154799956
[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 31203741
(4-methoxycarbonylphenyl)methyl 2-(4-phenylphenyl)quinoline-4-carboxylate
CID 3995735
(4-methoxycarbonylphenyl)methyl 2-phenylquinoline-4-carboxylate
CID 7866939
(2-phenyl-1,3-thiazol-4-yl)methyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 23851285
(4-cyclopropyl-1,3-thiazol-2-yl)methyl 2-pyridin-4-ylquinoline-4-carboxylate
CID 146086718
[2-oxo-2-(4-phenylphenyl)ethyl] 2-(4-methylphenyl)quinoline-4-carboxylate
CID 5076248
[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-bromobenzoate
CID 7866284

Frequently Asked Questions

What is the IUPAC name of (2-phenyl-1,3-thiazol-4-yl)methyl 2-(4-phenylphenyl)quinoline-4-carboxylate?
The IUPAC name of (2-phenyl-1,3-thiazol-4-yl)methyl 2-(4-phenylphenyl)quinoline-4-carboxylate (CID 3907572) is (2-phenyl-1,3-thiazol-4-yl)methyl 2-(4-phenylphenyl)quinoline-4-carboxylate.
What is the SMILES notation for (2-phenyl-1,3-thiazol-4-yl)methyl 2-(4-phenylphenyl)quinoline-4-carboxylate?
The canonical SMILES for (2-phenyl-1,3-thiazol-4-yl)methyl 2-(4-phenylphenyl)quinoline-4-carboxylate is O=C(OCc1csc(-c2ccccc2)n1)c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccccc12.
What is the InChIKey of (2-phenyl-1,3-thiazol-4-yl)methyl 2-(4-phenylphenyl)quinoline-4-carboxylate?
The InChIKey is UOMDVGDEJQUSON-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22N2O2S/c35-32(36-20-26-21-37-31(33-26)25-11-5-2-6-12-25)28-19-30(34-29-14-8-7-13-27(28)29)24-17-15-23(16-18-24)22-9-3-1-4-10-22/h1-19,21H,20H2.
What are the key properties of (2-phenyl-1,3-thiazol-4-yl)methyl 2-(4-phenylphenyl)quinoline-4-carboxylate?
(2-phenyl-1,3-thiazol-4-yl)methyl 2-(4-phenylphenyl)quinoline-4-carboxylate has a molecular weight of 498.61 g/mol, XLogP of 8.05, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyl-1,3-thiazol-4-yl)methyl 2-(4-phenylphenyl)quinoline-4-carboxylate is sourced from PubChem (CID 3907572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).