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

C16H17N3O2S — CID 154840391

IUPACN-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCc1cnc(C(C)NC(=O)C2CC(=O)Nc3ccccc32)s1
InChIInChI=1S/C16H17N3O2S/c1-9-8-17-16(22-9)10(2)18-15(21)12-7-14(20)19-13-6-4-3-5-11(12)13/h3-6,8,10,12H,7H2,1-2H3,(H,18,21)(H,19,20)
InChIKeySUESFYKKAVAHFK-UHFFFAOYSA-N
MW315.40 g/mol
LogP2.75
Rot. Bonds3

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

N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 154840391) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
PubChem CID154840391
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC NameN-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCc1cnc(C(C)NC(=O)C2CC(=O)Nc3ccccc32)s1
InChIInChI=1S/C16H17N3O2S/c1-9-8-17-16(22-9)10(2)18-15(21)12-7-14(20)19-13-6-4-3-5-11(12)13/h3-6,8,10,12H,7H2,1-2H3,(H,18,21)(H,19,20)
InChIKeySUESFYKKAVAHFK-UHFFFAOYSA-N
XLogP2.75
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Launch Full Analysis

Related Compounds

N-butan-2-yl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 4616929
2-oxo-N-pentan-2-yl-3,4-dihydro-1H-quinoline-4-carboxamide
CID 42933282
(2S)-2-[[(4S)-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]amino]butanoic acid
CID 124684330
(2R)-2-[[(4R)-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]amino]butanoic acid
CID 124683658
(3S)-3-(2-methylphenyl)-3-[[(4R)-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]amino]propanoic acid
CID 124695573
2-oxo-N-(2-propan-2-ylphenyl)-3,4-dihydro-1H-quinoline-4-carboxamide
CID 110702917
2-oxo-N-phenyl-3,4-dihydro-1H-quinoline-4-carboxamide
CID 17493174
(4R)-N-(5-chloro-2-pyridinyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 33328669
(2S)-2-[(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]hexanoic acid
CID 120615414
N-(4-acetyl-1,3-thiazol-2-yl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 53498086
N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 43038266
N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 110221948

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The IUPAC name of N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (CID 154840391) is N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The canonical SMILES for N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is Cc1cnc(C(C)NC(=O)C2CC(=O)Nc3ccccc32)s1.
What is the InChIKey of N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The InChIKey is SUESFYKKAVAHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S/c1-9-8-17-16(22-9)10(2)18-15(21)12-7-14(20)19-13-6-4-3-5-11(12)13/h3-6,8,10,12H,7H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 315.40 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 154840391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).