N-(5-methyl-1,2-oxazol-3-yl)-2-thiophen-2-ylquinoline-4-carboxamide

C18H13N3O2S — CID 4094173

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-thiophen-2-ylquinoline-4-carboxamide
SMILESCc1cc(NC(=O)c2cc(-c3cccs3)nc3ccccc23)no1
InChIInChI=1S/C18H13N3O2S/c1-11-9-17(21-23-11)20-18(22)13-10-15(16-7-4-8-24-16)19-14-6-3-2-5-12(13)14/h2-10H,1H3,(H,20,21,22)
InChIKeyAKHNAWIZUFRCGH-UHFFFAOYSA-N
MW335.39 g/mol
LogP4.51
Rot. Bonds3

About N-(5-methyl-1,2-oxazol-3-yl)-2-thiophen-2-ylquinoline-4-carboxamide

N-(5-methyl-1,2-oxazol-3-yl)-2-thiophen-2-ylquinoline-4-carboxamide (PubChem CID 4094173) has the molecular formula C18H13N3O2S and a molecular weight of 335.39 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-thiophen-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-thiophen-2-ylquinoline-4-carboxamide
PubChem CID4094173
Molecular FormulaC18H13N3O2S
Molecular Weight335.39 g/mol
Exact Mass335.07
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-thiophen-2-ylquinoline-4-carboxamide
SMILESCc1cc(NC(=O)c2cc(-c3cccs3)nc3ccccc23)no1
InChIInChI=1S/C18H13N3O2S/c1-11-9-17(21-23-11)20-18(22)13-10-15(16-7-4-8-24-16)19-14-6-3-2-5-12(13)14/h2-10H,1H3,(H,20,21,22)
InChIKeyAKHNAWIZUFRCGH-UHFFFAOYSA-N
XLogP4.51
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-thiophen-2-ylquinoline-4-carboxamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-thiophen-2-ylquinoline-4-carboxamide (CID 4094173) is N-(5-methyl-1,2-oxazol-3-yl)-2-thiophen-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-thiophen-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-thiophen-2-ylquinoline-4-carboxamide is Cc1cc(NC(=O)c2cc(-c3cccs3)nc3ccccc23)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-thiophen-2-ylquinoline-4-carboxamide?
The InChIKey is AKHNAWIZUFRCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O2S/c1-11-9-17(21-23-11)20-18(22)13-10-15(16-7-4-8-24-16)19-14-6-3-2-5-12(13)14/h2-10H,1H3,(H,20,21,22).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-thiophen-2-ylquinoline-4-carboxamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-thiophen-2-ylquinoline-4-carboxamide has a molecular weight of 335.39 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-thiophen-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 4094173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).