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

C15H15N3O2S — CID 94171644

IUPAC(4R)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCc1csc(CNC(=O)[C@@H]2CC(=O)Nc3ccccc32)n1
InChIInChI=1S/C15H15N3O2S/c1-9-8-21-14(17-9)7-16-15(20)11-6-13(19)18-12-5-3-2-4-10(11)12/h2-5,8,11H,6-7H2,1H3,(H,16,20)(H,18,19)/t11-/m1/s1
InChIKeyIDQTZMKKQCTLES-LLVKDONJSA-N
MW301.37 g/mol
LogP2.19
Rot. Bonds3

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

(4R)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 94171644) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is (4R)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name(4R)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
PubChem CID94171644
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC Name(4R)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCc1csc(CNC(=O)[C@@H]2CC(=O)Nc3ccccc32)n1
InChIInChI=1S/C15H15N3O2S/c1-9-8-21-14(17-9)7-16-15(20)11-6-13(19)18-12-5-3-2-4-10(11)12/h2-5,8,11H,6-7H2,1H3,(H,16,20)(H,18,19)/t11-/m1/s1
InChIKeyIDQTZMKKQCTLES-LLVKDONJSA-N
XLogP2.19
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

N-[(3-methylthiophen-2-yl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 46449099
2-methyl-5-[[[(4R)-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]amino]methyl]furan-3-carboxylic acid
CID 129352969
N-(2-acetamidoethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 110702913
(4S)-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 97115265
N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 110221948
N-[2-(methylamino)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride
CID 119503581
(2R)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 94177447
N-(4-acetyl-1,3-thiazol-2-yl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 53498086
N-(2-aminoethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride
CID 119384935
(4R)-N-[[2-(dimethylamino)-4-pyridinyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 94022869
1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-[[(4R)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]methyl]urea
CID 97059749
N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 111519785

Frequently Asked Questions

What is the IUPAC name of (4R)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The IUPAC name of (4R)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (CID 94171644) is (4R)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for (4R)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The canonical SMILES for (4R)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is Cc1csc(CNC(=O)[C@@H]2CC(=O)Nc3ccccc32)n1.
What is the InChIKey of (4R)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The InChIKey is IDQTZMKKQCTLES-LLVKDONJSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-9-8-21-14(17-9)7-16-15(20)11-6-13(19)18-12-5-3-2-4-10(11)12/h2-5,8,11H,6-7H2,1H3,(H,16,20)(H,18,19)/t11-/m1/s1.
What are the key properties of (4R)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
(4R)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 301.37 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 94171644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).