methyl 2-oxo-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinoline-5-carboxylate

C19H13N3O3S — CID 24768284

IUPACmethyl 2-oxo-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinoline-5-carboxylate
SMILESCOC(=O)c1cccc2[nH]c(=O)c(-c3csc(-c4ccncc4)n3)cc12
InChIInChI=1S/C19H13N3O3S/c1-25-19(24)12-3-2-4-15-13(12)9-14(17(23)21-15)16-10-26-18(22-16)11-5-7-20-8-6-11/h2-10H,1H3,(H,21,23)
InChIKeyPPSLREGORUQEEL-UHFFFAOYSA-N
MW363.40 g/mol
LogP3.50
Rot. Bonds3

About methyl 2-oxo-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinoline-5-carboxylate

methyl 2-oxo-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinoline-5-carboxylate (PubChem CID 24768284) has the molecular formula C19H13N3O3S and a molecular weight of 363.40 g/mol. Its IUPAC name is methyl 2-oxo-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinoline-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-oxo-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinoline-5-carboxylate
PubChem CID24768284
Molecular FormulaC19H13N3O3S
Molecular Weight363.40 g/mol
Exact Mass363.07
IUPAC Namemethyl 2-oxo-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinoline-5-carboxylate
SMILESCOC(=O)c1cccc2[nH]c(=O)c(-c3csc(-c4ccncc4)n3)cc12
InChIInChI=1S/C19H13N3O3S/c1-25-19(24)12-3-2-4-15-13(12)9-14(17(23)21-15)16-10-26-18(22-16)11-5-7-20-8-6-11/h2-10H,1H3,(H,21,23)
InChIKeyPPSLREGORUQEEL-UHFFFAOYSA-N
XLogP3.50
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-oxo-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinoline-5-carboxylate?
The IUPAC name of methyl 2-oxo-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinoline-5-carboxylate (CID 24768284) is methyl 2-oxo-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinoline-5-carboxylate.
What is the SMILES notation for methyl 2-oxo-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinoline-5-carboxylate?
The canonical SMILES for methyl 2-oxo-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinoline-5-carboxylate is COC(=O)c1cccc2[nH]c(=O)c(-c3csc(-c4ccncc4)n3)cc12.
What is the InChIKey of methyl 2-oxo-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinoline-5-carboxylate?
The InChIKey is PPSLREGORUQEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O3S/c1-25-19(24)12-3-2-4-15-13(12)9-14(17(23)21-15)16-10-26-18(22-16)11-5-7-20-8-6-11/h2-10H,1H3,(H,21,23).
What are the key properties of methyl 2-oxo-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinoline-5-carboxylate?
methyl 2-oxo-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinoline-5-carboxylate has a molecular weight of 363.40 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-oxo-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinoline-5-carboxylate is sourced from PubChem (CID 24768284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).