N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide

C18H17N3O3S — CID 167921664

IUPACN-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide
SMILESCc1cc(=O)[nH]c2ccc(NC(=O)c3csc(C4CCCO4)n3)cc12
InChIInChI=1S/C18H17N3O3S/c1-10-7-16(22)20-13-5-4-11(8-12(10)13)19-17(23)14-9-25-18(21-14)15-3-2-6-24-15/h4-5,7-9,15H,2-3,6H2,1H3,(H,19,23)(H,20,22)
InChIKeyHWNQGAZJXSGFMN-UHFFFAOYSA-N
MW355.42 g/mol
LogP3.40
Rot. Bonds3

About N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide

N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide (PubChem CID 167921664) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide
PubChem CID167921664
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC NameN-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide
SMILESCc1cc(=O)[nH]c2ccc(NC(=O)c3csc(C4CCCO4)n3)cc12
InChIInChI=1S/C18H17N3O3S/c1-10-7-16(22)20-13-5-4-11(8-12(10)13)19-17(23)14-9-25-18(21-14)15-3-2-6-24-15/h4-5,7-9,15H,2-3,6H2,1H3,(H,19,23)(H,20,22)
InChIKeyHWNQGAZJXSGFMN-UHFFFAOYSA-N
XLogP3.40
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide (CID 167921664) is N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide is Cc1cc(=O)[nH]c2ccc(NC(=O)c3csc(C4CCCO4)n3)cc12.
What is the InChIKey of N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is HWNQGAZJXSGFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S/c1-10-7-16(22)20-13-5-4-11(8-12(10)13)19-17(23)14-9-25-18(21-14)15-3-2-6-24-15/h4-5,7-9,15H,2-3,6H2,1H3,(H,19,23)(H,20,22).
What are the key properties of N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide?
N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 355.42 g/mol, XLogP of 3.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 167921664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).