N-(5-methyl-1,2-oxazol-3-yl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide

C19H15N3O2S — CID 2059829

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide
SMILESCc1cc(NC(=O)c2cc(-c3ccc(C)s3)nc3ccccc23)no1
InChIInChI=1S/C19H15N3O2S/c1-11-9-18(22-24-11)21-19(23)14-10-16(17-8-7-12(2)25-17)20-15-6-4-3-5-13(14)15/h3-10H,1-2H3,(H,21,22,23)
InChIKeyHEBURSMXCSPMGE-UHFFFAOYSA-N
MW349.42 g/mol
LogP4.82
Rot. Bonds3

About N-(5-methyl-1,2-oxazol-3-yl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide

N-(5-methyl-1,2-oxazol-3-yl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide (PubChem CID 2059829) has the molecular formula C19H15N3O2S and a molecular weight of 349.42 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide
PubChem CID2059829
Molecular FormulaC19H15N3O2S
Molecular Weight349.42 g/mol
Exact Mass349.09
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide
SMILESCc1cc(NC(=O)c2cc(-c3ccc(C)s3)nc3ccccc23)no1
InChIInChI=1S/C19H15N3O2S/c1-11-9-18(22-24-11)21-19(23)14-10-16(17-8-7-12(2)25-17)20-15-6-4-3-5-13(14)15/h3-10H,1-2H3,(H,21,22,23)
InChIKeyHEBURSMXCSPMGE-UHFFFAOYSA-N
XLogP4.82
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-Methyl-isoxazol-3-yl)-2-(3,7,8-trimethyl-quinolin-2-ylsulfanyl)-acetamide
CID 857565
2-(3,7-Dimethyl-quinolin-2-ylsulfanyl)-N-(5-methyl-isoxazol-3-yl)-acetamide
CID 1176129
2-(3-Cyano-quinolin-2-ylsulfanyl)-N-(5-methyl-isoxazol-3-yl)-acetamide
CID 1433850
N-(5-methyl-3-isoxazolyl)-2-(4-methylphenyl)-4-quinolinecarboxamide
CID 897342
N-3-isoxazolyl-2-phenyl-4-quinolinecarboxamide
CID 899144
2-(3,4-dimethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide
CID 1222691
2-(3-Ethyl-6-methyl-quinolin-2-ylsulfanyl)-N-(5-methyl-isoxazol-3-yl)-acetamide
CID 3208003
2-(3-Ethyl-5,8-dimethyl-quinolin-2-ylsulfanyl)-N-(5-methyl-isoxazol-3-yl)-acetamide
CID 3208188
2-(3-ethyl-6,8-dimethylquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 3208214
N-(5-methyl-3-isoxazolyl)-2-(2-methylphenyl)-4-quinolinecarboxamide
CID 3319654
N-(5-Methyl-isoxazol-3-yl)-2-(3,6,8-trimethyl-quinolin-2-ylsulfanyl)-acetamide
CID 3189733
2-(3,8-Dimethyl-quinolin-2-ylsulfanyl)-N-(5-methyl-isoxazol-3-yl)-acetamide
CID 24792686

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide (CID 2059829) is N-(5-methyl-1,2-oxazol-3-yl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide is Cc1cc(NC(=O)c2cc(-c3ccc(C)s3)nc3ccccc23)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide?
The InChIKey is HEBURSMXCSPMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2S/c1-11-9-18(22-24-11)21-19(23)14-10-16(17-8-7-12(2)25-17)20-15-6-4-3-5-13(14)15/h3-10H,1-2H3,(H,21,22,23).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide has a molecular weight of 349.42 g/mol, XLogP of 4.82, 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-(5-methylthiophen-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 2059829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).