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

C20H14N2O3S — CID 2387635

IUPAC(2-phenyl-1,3-thiazol-4-yl)methyl 2-oxo-1H-quinoline-4-carboxylate
SMILESO=C(OCc1csc(-c2ccccc2)n1)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C20H14N2O3S/c23-18-10-16(15-8-4-5-9-17(15)22-18)20(24)25-11-14-12-26-19(21-14)13-6-2-1-3-7-13/h1-10,12H,11H2,(H,22,23)
InChIKeyHICUCXPOHHWEPA-UHFFFAOYSA-N
MW362.41 g/mol
LogP4.01
Rot. Bonds4

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

(2-phenyl-1,3-thiazol-4-yl)methyl 2-oxo-1H-quinoline-4-carboxylate (PubChem CID 2387635) has the molecular formula C20H14N2O3S and a molecular weight of 362.41 g/mol. Its IUPAC name is (2-phenyl-1,3-thiazol-4-yl)methyl 2-oxo-1H-quinoline-4-carboxylate.

Molecular Properties

Compound Name(2-phenyl-1,3-thiazol-4-yl)methyl 2-oxo-1H-quinoline-4-carboxylate
PubChem CID2387635
Molecular FormulaC20H14N2O3S
Molecular Weight362.41 g/mol
Exact Mass362.07
IUPAC Name(2-phenyl-1,3-thiazol-4-yl)methyl 2-oxo-1H-quinoline-4-carboxylate
SMILESO=C(OCc1csc(-c2ccccc2)n1)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C20H14N2O3S/c23-18-10-16(15-8-4-5-9-17(15)22-18)20(24)25-11-14-12-26-19(21-14)13-6-2-1-3-7-13/h1-10,12H,11H2,(H,22,23)
InChIKeyHICUCXPOHHWEPA-UHFFFAOYSA-N
XLogP4.01
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-methyl-1,3-thiazol-4-yl)methyl 2-oxo-1H-quinoline-4-carboxylate
CID 2573534
(2-phenyl-1,3-thiazol-4-yl)methyl 2-(4-phenylphenyl)quinoline-4-carboxylate
CID 3907572
(2-phenyl-1,3-thiazol-4-yl)methyl 1,4-dihydroxynaphthalene-2-carboxylate
CID 2482716
(2-phenyl-1,3-thiazol-4-yl)methyl anthracene-9-carboxylate
CID 7786495
(2-phenyl-1,3-thiazol-4-yl)methyl pyridine-4-carboxylate
CID 7478095
(2-phenyl-1,3-thiazol-4-yl)methyl 2-(difluoromethoxy)benzoate
CID 55327358
(2-chlorophenyl)methyl 2-oxo-1H-quinoline-4-carboxylate
CID 895054
(2-phenyl-1,3-thiazol-4-yl)methyl 3,4-difluorobenzoate
CID 30305825
phenacyl 2-oxo-1H-quinoline-4-carboxylate
CID 684408
(2-phenyl-1,3-thiazol-4-yl)methyl 3,5-dimethoxy-4-methylbenzoate
CID 4857964
(2-phenyl-1,3-thiazol-4-yl)methyl 2-methyl-1,8-naphthyridine-3-carboxylate
CID 66632863
[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 2-amino-4-fluorobenzoate
CID 16612092

Frequently Asked Questions

What is the IUPAC name of (2-phenyl-1,3-thiazol-4-yl)methyl 2-oxo-1H-quinoline-4-carboxylate?
The IUPAC name of (2-phenyl-1,3-thiazol-4-yl)methyl 2-oxo-1H-quinoline-4-carboxylate (CID 2387635) is (2-phenyl-1,3-thiazol-4-yl)methyl 2-oxo-1H-quinoline-4-carboxylate.
What is the SMILES notation for (2-phenyl-1,3-thiazol-4-yl)methyl 2-oxo-1H-quinoline-4-carboxylate?
The canonical SMILES for (2-phenyl-1,3-thiazol-4-yl)methyl 2-oxo-1H-quinoline-4-carboxylate is O=C(OCc1csc(-c2ccccc2)n1)c1cc(=O)[nH]c2ccccc12.
What is the InChIKey of (2-phenyl-1,3-thiazol-4-yl)methyl 2-oxo-1H-quinoline-4-carboxylate?
The InChIKey is HICUCXPOHHWEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O3S/c23-18-10-16(15-8-4-5-9-17(15)22-18)20(24)25-11-14-12-26-19(21-14)13-6-2-1-3-7-13/h1-10,12H,11H2,(H,22,23).
What are the key properties of (2-phenyl-1,3-thiazol-4-yl)methyl 2-oxo-1H-quinoline-4-carboxylate?
(2-phenyl-1,3-thiazol-4-yl)methyl 2-oxo-1H-quinoline-4-carboxylate has a molecular weight of 362.41 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 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-oxo-1H-quinoline-4-carboxylate is sourced from PubChem (CID 2387635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).