N-(2-pyridin-3-ylquinolin-8-yl)-1,3-thiazole-4-carboxamide

C18H12N4OS — CID 44553070

IUPACN-(2-pyridin-3-ylquinolin-8-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cccc2ccc(-c3cccnc3)nc12)c1cscn1
InChIInChI=1S/C18H12N4OS/c23-18(16-10-24-11-20-16)22-15-5-1-3-12-6-7-14(21-17(12)15)13-4-2-8-19-9-13/h1-11H,(H,22,23)
InChIKeyHCRLFOKLIQVVJD-UHFFFAOYSA-N
MW332.39 g/mol
LogP4.01
Rot. Bonds3

About N-(2-pyridin-3-ylquinolin-8-yl)-1,3-thiazole-4-carboxamide

N-(2-pyridin-3-ylquinolin-8-yl)-1,3-thiazole-4-carboxamide (PubChem CID 44553070) has the molecular formula C18H12N4OS and a molecular weight of 332.39 g/mol. Its IUPAC name is N-(2-pyridin-3-ylquinolin-8-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-pyridin-3-ylquinolin-8-yl)-1,3-thiazole-4-carboxamide
PubChem CID44553070
Molecular FormulaC18H12N4OS
Molecular Weight332.39 g/mol
Exact Mass332.07
IUPAC NameN-(2-pyridin-3-ylquinolin-8-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cccc2ccc(-c3cccnc3)nc12)c1cscn1
InChIInChI=1S/C18H12N4OS/c23-18(16-10-24-11-20-16)22-15-5-1-3-12-6-7-14(21-17(12)15)13-4-2-8-19-9-13/h1-11H,(H,22,23)
InChIKeyHCRLFOKLIQVVJD-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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Related Compounds

[3-[8-(pyrazine-2-carbonylamino)quinolin-2-yl]phenyl] hypofluorite
CID 121354207
N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3-thiazole-4-carboxamide
CID 89445686
N-[2-[3-(trifluoromethyl)phenyl]quinolin-8-yl]pyrazine-2-carboxamide
CID 44554952
N-quinolin-8-ylpyrazine-2-carboxamide
CID 139088852
N-[4-(dimethylamino)-3-pyridinyl]-1,3-thiazole-4-carboxamide
CID 63049052
N-(2-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 62046847
N-[2-[3-(trifluoromethoxy)phenyl]quinolin-8-yl]quinoxaline-2-carboxamide
CID 58154508
3-(2-piperidin-1-ylethoxy)-N-(2-pyridin-3-ylquinolin-8-yl)benzamide
CID 157127954
N-(1-pyridin-3-ylethyl)-1,3-thiazole-4-carboxamide
CID 63037033
2-phenyl-N-pyrazin-2-ylquinoline-8-carboxamide
CID 44555104
6-chloro-N-quinolin-8-ylpyrazine-2-carboxamide
CID 103186933
N-(2-ethylphenyl)-1,3-thiazole-4-carboxamide
CID 62046507

Frequently Asked Questions

What is the IUPAC name of N-(2-pyridin-3-ylquinolin-8-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-pyridin-3-ylquinolin-8-yl)-1,3-thiazole-4-carboxamide (CID 44553070) is N-(2-pyridin-3-ylquinolin-8-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-pyridin-3-ylquinolin-8-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-pyridin-3-ylquinolin-8-yl)-1,3-thiazole-4-carboxamide is O=C(Nc1cccc2ccc(-c3cccnc3)nc12)c1cscn1.
What is the InChIKey of N-(2-pyridin-3-ylquinolin-8-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is HCRLFOKLIQVVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N4OS/c23-18(16-10-24-11-20-16)22-15-5-1-3-12-6-7-14(21-17(12)15)13-4-2-8-19-9-13/h1-11H,(H,22,23).
What are the key properties of N-(2-pyridin-3-ylquinolin-8-yl)-1,3-thiazole-4-carboxamide?
N-(2-pyridin-3-ylquinolin-8-yl)-1,3-thiazole-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 N-(2-pyridin-3-ylquinolin-8-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 44553070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).