methyl 2-oxo-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinoline-7-carboxylate

C19H13N3O3S — CID 69453571

IUPACmethyl 2-oxo-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinoline-7-carboxylate
SMILESCOC(=O)c1ccc2cc(-c3csc(-c4ccncc4)n3)c(=O)[nH]c2c1
InChIInChI=1S/C19H13N3O3S/c1-25-19(24)13-3-2-12-8-14(17(23)21-15(12)9-13)16-10-26-18(22-16)11-4-6-20-7-5-11/h2-10H,1H3,(H,21,23)
InChIKeyXPCQHWGLSFXQKO-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-7-carboxylate

methyl 2-oxo-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinoline-7-carboxylate (PubChem CID 69453571) 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-7-carboxylate.

Molecular Properties

Compound Namemethyl 2-oxo-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinoline-7-carboxylate
PubChem CID69453571
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-7-carboxylate
SMILESCOC(=O)c1ccc2cc(-c3csc(-c4ccncc4)n3)c(=O)[nH]c2c1
InChIInChI=1S/C19H13N3O3S/c1-25-19(24)13-3-2-12-8-14(17(23)21-15(12)9-13)16-10-26-18(22-16)11-4-6-20-7-5-11/h2-10H,1H3,(H,21,23)
InChIKeyXPCQHWGLSFXQKO-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

Analyze methyl 2-oxo-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinoline-7-carboxylate with MolForge

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Related Compounds

N-[2-(dimethylamino)ethyl]-N-ethyl-2-oxo-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinoline-7-carboxamide
CID 23527337
7-(2-pyridin-4-yl-1,3-thiazol-4-yl)-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 10172267
3-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one
CID 135528630
3-[2-[2-(2-methoxyethoxy)-4-pyridinyl]-1,3-thiazol-4-yl]-1H-quinolin-2-one
CID 22638610
methyl 4-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzoate;hydrobromide
CID 18613847
6-methyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridin-2-one
CID 10355730
6-(methoxymethyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridin-2-one
CID 58733690
methyl 3-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzoate
CID 80555016
6-methyl-2-oxo-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridine-3-carboxamide
CID 70482718
6-ethyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridin-2-one
CID 10016685
3-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]-1H-quinolin-2-one
CID 22638613
3-[2-(6-oxo-1H-pyridin-3-yl)-1,3-thiazol-4-yl]-1H-quinolin-2-one
CID 135443299

Frequently Asked Questions

What is the IUPAC name of methyl 2-oxo-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinoline-7-carboxylate?
The IUPAC name of methyl 2-oxo-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinoline-7-carboxylate (CID 69453571) is methyl 2-oxo-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinoline-7-carboxylate.
What is the SMILES notation for methyl 2-oxo-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinoline-7-carboxylate?
The canonical SMILES for methyl 2-oxo-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinoline-7-carboxylate is COC(=O)c1ccc2cc(-c3csc(-c4ccncc4)n3)c(=O)[nH]c2c1.
What is the InChIKey of methyl 2-oxo-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinoline-7-carboxylate?
The InChIKey is XPCQHWGLSFXQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O3S/c1-25-19(24)13-3-2-12-8-14(17(23)21-15(12)9-13)16-10-26-18(22-16)11-4-6-20-7-5-11/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-7-carboxylate?
methyl 2-oxo-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinoline-7-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-7-carboxylate is sourced from PubChem (CID 69453571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).