2-pyridin-4-yl-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide

C18H12N4OS — CID 2321116

IUPAC2-pyridin-4-yl-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
SMILESO=C(Nc1nccs1)c1cc(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C18H12N4OS/c23-17(22-18-20-9-10-24-18)14-11-16(12-5-7-19-8-6-12)21-15-4-2-1-3-13(14)15/h1-11H,(H,20,22,23)
InChIKeyIGDPWVZLHXFMNY-UHFFFAOYSA-N
MW332.39 g/mol
LogP4.01
Rot. Bonds3

About 2-pyridin-4-yl-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide

2-pyridin-4-yl-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide (PubChem CID 2321116) has the molecular formula C18H12N4OS and a molecular weight of 332.39 g/mol. Its IUPAC name is 2-pyridin-4-yl-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-pyridin-4-yl-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
PubChem CID2321116
Molecular FormulaC18H12N4OS
Molecular Weight332.39 g/mol
Exact Mass332.07
IUPAC Name2-pyridin-4-yl-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
SMILESO=C(Nc1nccs1)c1cc(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C18H12N4OS/c23-17(22-18-20-9-10-24-18)14-11-16(12-5-7-19-8-6-12)21-15-4-2-1-3-13(14)15/h1-11H,(H,20,22,23)
InChIKeyIGDPWVZLHXFMNY-UHFFFAOYSA-N
XLogP4.01
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.39
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-yl-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide?
The IUPAC name of 2-pyridin-4-yl-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide (CID 2321116) is 2-pyridin-4-yl-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide.
What is the SMILES notation for 2-pyridin-4-yl-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide?
The canonical SMILES for 2-pyridin-4-yl-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide is O=C(Nc1nccs1)c1cc(-c2ccncc2)nc2ccccc12.
What is the InChIKey of 2-pyridin-4-yl-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide?
The InChIKey is IGDPWVZLHXFMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N4OS/c23-17(22-18-20-9-10-24-18)14-11-16(12-5-7-19-8-6-12)21-15-4-2-1-3-13(14)15/h1-11H,(H,20,22,23).
What are the key properties of 2-pyridin-4-yl-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide?
2-pyridin-4-yl-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide has a molecular weight of 332.39 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-yl-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 2321116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).