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

C18H11ClN4OS — CID 2221186

IUPAC8-chloro-2-pyridin-2-yl-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
SMILESO=C(Nc1nccs1)c1cc(-c2ccccn2)nc2c(Cl)cccc12
InChIInChI=1S/C18H11ClN4OS/c19-13-5-3-4-11-12(17(24)23-18-21-8-9-25-18)10-15(22-16(11)13)14-6-1-2-7-20-14/h1-10H,(H,21,23,24)
InChIKeyZEYRQNUUXMNJSL-UHFFFAOYSA-N
MW366.83 g/mol
LogP4.66
Rot. Bonds3

About 8-chloro-2-pyridin-2-yl-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide

8-chloro-2-pyridin-2-yl-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide (PubChem CID 2221186) has the molecular formula C18H11ClN4OS and a molecular weight of 366.83 g/mol. Its IUPAC name is 8-chloro-2-pyridin-2-yl-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name8-chloro-2-pyridin-2-yl-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
PubChem CID2221186
Molecular FormulaC18H11ClN4OS
Molecular Weight366.83 g/mol
Exact Mass366.03
IUPAC Name8-chloro-2-pyridin-2-yl-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
SMILESO=C(Nc1nccs1)c1cc(-c2ccccn2)nc2c(Cl)cccc12
InChIInChI=1S/C18H11ClN4OS/c19-13-5-3-4-11-12(17(24)23-18-21-8-9-25-18)10-15(22-16(11)13)14-6-1-2-7-20-14/h1-10H,(H,21,23,24)
InChIKeyZEYRQNUUXMNJSL-UHFFFAOYSA-N
XLogP4.66
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.83
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-pyridin-2-yl-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide?
The IUPAC name of 8-chloro-2-pyridin-2-yl-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide (CID 2221186) is 8-chloro-2-pyridin-2-yl-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide.
What is the SMILES notation for 8-chloro-2-pyridin-2-yl-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide?
The canonical SMILES for 8-chloro-2-pyridin-2-yl-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide is O=C(Nc1nccs1)c1cc(-c2ccccn2)nc2c(Cl)cccc12.
What is the InChIKey of 8-chloro-2-pyridin-2-yl-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide?
The InChIKey is ZEYRQNUUXMNJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClN4OS/c19-13-5-3-4-11-12(17(24)23-18-21-8-9-25-18)10-15(22-16(11)13)14-6-1-2-7-20-14/h1-10H,(H,21,23,24).
What are the key properties of 8-chloro-2-pyridin-2-yl-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide?
8-chloro-2-pyridin-2-yl-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide has a molecular weight of 366.83 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-pyridin-2-yl-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 2221186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).