N-methyl-2-oxo-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]-1H-quinoline-4-carboxamide

C16H15N3O2S — CID 97115532

IUPACN-methyl-2-oxo-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]-1H-quinoline-4-carboxamide
SMILESC[C@@H](c1cncs1)N(C)C(=O)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C16H15N3O2S/c1-10(14-8-17-9-22-14)19(2)16(21)12-7-15(20)18-13-6-4-3-5-11(12)13/h3-10H,1-2H3,(H,18,20)/t10-/m0/s1
InChIKeyFQJADGHBOPLZBK-JTQLQIEISA-N
MW313.38 g/mol
LogP2.82
Rot. Bonds3

About N-methyl-2-oxo-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]-1H-quinoline-4-carboxamide

N-methyl-2-oxo-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]-1H-quinoline-4-carboxamide (PubChem CID 97115532) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is N-methyl-2-oxo-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-methyl-2-oxo-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]-1H-quinoline-4-carboxamide
PubChem CID97115532
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC NameN-methyl-2-oxo-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]-1H-quinoline-4-carboxamide
SMILESC[C@@H](c1cncs1)N(C)C(=O)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C16H15N3O2S/c1-10(14-8-17-9-22-14)19(2)16(21)12-7-15(20)18-13-6-4-3-5-11(12)13/h3-10H,1-2H3,(H,18,20)/t10-/m0/s1
InChIKeyFQJADGHBOPLZBK-JTQLQIEISA-N
XLogP2.82
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-(1H-indol-2-yl)ethyl]-N-methyl-2-oxo-1H-quinoline-4-carboxamide
CID 97116272
N-methyl-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 97122025
N-(1-aminopropan-2-yl)-N-methyl-2-oxo-1H-quinoline-4-carboxamide;hydrochloride
CID 119583320
N,2,6,8-tetramethyl-N-[1-(1,3-thiazol-5-yl)ethyl]quinoline-4-carboxamide
CID 70713626
N-benzyl-N-methyl-2-oxo-1H-quinoline-4-carboxamide
CID 2977763
N,3,5,7-tetramethyl-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]-1H-indole-2-carboxamide
CID 97113138
2-[cyclopropyl-(2-oxo-1H-quinoline-4-carbonyl)amino]propanoic acid
CID 120519111
2-anilino-N-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]pyrimidine-5-carboxamide
CID 72894351
methanamine;2-oxo-1H-quinoline-4-carboxylic acid
CID 143703164
N-(3-methylbutan-2-yl)-2-oxo-1H-quinoline-4-carboxamide
CID 75409323
N-methyl-5-propyl-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 97115981
N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-2-oxo-1H-quinoline-4-carboxamide
CID 9270290

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-oxo-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]-1H-quinoline-4-carboxamide?
The IUPAC name of N-methyl-2-oxo-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]-1H-quinoline-4-carboxamide (CID 97115532) is N-methyl-2-oxo-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-methyl-2-oxo-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]-1H-quinoline-4-carboxamide?
The canonical SMILES for N-methyl-2-oxo-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]-1H-quinoline-4-carboxamide is C[C@@H](c1cncs1)N(C)C(=O)c1cc(=O)[nH]c2ccccc12.
What is the InChIKey of N-methyl-2-oxo-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]-1H-quinoline-4-carboxamide?
The InChIKey is FQJADGHBOPLZBK-JTQLQIEISA-N. The full InChI is InChI=1S/C16H15N3O2S/c1-10(14-8-17-9-22-14)19(2)16(21)12-7-15(20)18-13-6-4-3-5-11(12)13/h3-10H,1-2H3,(H,18,20)/t10-/m0/s1.
What are the key properties of N-methyl-2-oxo-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]-1H-quinoline-4-carboxamide?
N-methyl-2-oxo-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]-1H-quinoline-4-carboxamide has a molecular weight of 313.38 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-oxo-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]-1H-quinoline-4-carboxamide is sourced from PubChem (CID 97115532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).