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

C20H16N4O2S — CID 167965401

IUPAC4-methyl-2-oxo-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]-1H-quinoline-3-carboxamide
SMILESCc1c(C(=O)NCc2nc(-c3ccncc3)cs2)c(=O)[nH]c2ccccc12
InChIInChI=1S/C20H16N4O2S/c1-12-14-4-2-3-5-15(14)24-20(26)18(12)19(25)22-10-17-23-16(11-27-17)13-6-8-21-9-7-13/h2-9,11H,10H2,1H3,(H,22,25)(H,24,26)
InChIKeyLSOKWZLGMOKUQA-UHFFFAOYSA-N
MW376.44 g/mol
LogP3.29
Rot. Bonds4

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

4-methyl-2-oxo-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]-1H-quinoline-3-carboxamide (PubChem CID 167965401) has the molecular formula C20H16N4O2S and a molecular weight of 376.44 g/mol. Its IUPAC name is 4-methyl-2-oxo-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name4-methyl-2-oxo-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]-1H-quinoline-3-carboxamide
PubChem CID167965401
Molecular FormulaC20H16N4O2S
Molecular Weight376.44 g/mol
Exact Mass376.10
IUPAC Name4-methyl-2-oxo-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]-1H-quinoline-3-carboxamide
SMILESCc1c(C(=O)NCc2nc(-c3ccncc3)cs2)c(=O)[nH]c2ccccc12
InChIInChI=1S/C20H16N4O2S/c1-12-14-4-2-3-5-15(14)24-20(26)18(12)19(25)22-10-17-23-16(11-27-17)13-6-8-21-9-7-13/h2-9,11H,10H2,1H3,(H,22,25)(H,24,26)
InChIKeyLSOKWZLGMOKUQA-UHFFFAOYSA-N
XLogP3.29
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-[(2-chlorophenyl)methyl]-4-methyl-2-oxo-1H-quinoline-3-carboxamide
CID 24939142
4-hydroxy-2-oxo-N-(pyridin-4-ylmethyl)-1H-quinoline-3-carboxamide
CID 54706702
2-oxo-3-(pyridin-4-ylmethylcarbamoyl)-1H-quinolin-4-olate
CID 51450902
3-phenyl-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]propanamide
CID 110318189
N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]pyridine-4-carboxamide
CID 110393681
3-acetyl-4-methyl-1H-quinolin-2-one
CID 102153269
3,5-dimethoxy-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]benzamide
CID 110318175
5-hydroxy-6-oxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide
CID 135971642
N-[(2S)-2-cyanopropyl]-4-methyl-2-oxo-1H-quinoline-3-carboxamide
CID 96528870
4-methyl-2-oxo-N-(3-phenylpropyl)-1H-quinoline-3-carboxamide
CID 24939140
4-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-oxo-1H-quinoline-3-carboxamide
CID 71862176
N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-oxo-1H-quinoline-3-carboxamide
CID 24939135

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-oxo-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]-1H-quinoline-3-carboxamide?
The IUPAC name of 4-methyl-2-oxo-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]-1H-quinoline-3-carboxamide (CID 167965401) is 4-methyl-2-oxo-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]-1H-quinoline-3-carboxamide.
What is the SMILES notation for 4-methyl-2-oxo-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]-1H-quinoline-3-carboxamide?
The canonical SMILES for 4-methyl-2-oxo-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]-1H-quinoline-3-carboxamide is Cc1c(C(=O)NCc2nc(-c3ccncc3)cs2)c(=O)[nH]c2ccccc12.
What is the InChIKey of 4-methyl-2-oxo-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]-1H-quinoline-3-carboxamide?
The InChIKey is LSOKWZLGMOKUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2S/c1-12-14-4-2-3-5-15(14)24-20(26)18(12)19(25)22-10-17-23-16(11-27-17)13-6-8-21-9-7-13/h2-9,11H,10H2,1H3,(H,22,25)(H,24,26).
What are the key properties of 4-methyl-2-oxo-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]-1H-quinoline-3-carboxamide?
4-methyl-2-oxo-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]-1H-quinoline-3-carboxamide has a molecular weight of 376.44 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-oxo-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]-1H-quinoline-3-carboxamide is sourced from PubChem (CID 167965401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).