N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]-2-pyridin-2-ylsulfanylacetamide

C17H17N3O2S — CID 26434790

IUPACN-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]-2-pyridin-2-ylsulfanylacetamide
SMILESO=C(CSc1ccccn1)NCc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C17H17N3O2S/c21-15-7-5-13-9-12(4-6-14(13)20-15)10-19-16(22)11-23-17-3-1-2-8-18-17/h1-4,6,8-9H,5,7,10-11H2,(H,19,22)(H,20,21)
InChIKeyIDZOAYPMUKCWDE-UHFFFAOYSA-N
MW327.41 g/mol
LogP2.37
Rot. Bonds5

About N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]-2-pyridin-2-ylsulfanylacetamide

N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]-2-pyridin-2-ylsulfanylacetamide (PubChem CID 26434790) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]-2-pyridin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]-2-pyridin-2-ylsulfanylacetamide
PubChem CID26434790
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC NameN-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]-2-pyridin-2-ylsulfanylacetamide
SMILESO=C(CSc1ccccn1)NCc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C17H17N3O2S/c21-15-7-5-13-9-12(4-6-14(13)20-15)10-19-16(22)11-23-17-3-1-2-8-18-17/h1-4,6,8-9H,5,7,10-11H2,(H,19,22)(H,20,21)
InChIKeyIDZOAYPMUKCWDE-UHFFFAOYSA-N
XLogP2.37
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]pyridine-2-carboxamide
CID 110793860
2-amino-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]acetamide
CID 82496063
1-benzyl-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]urea
CID 110775001
1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]-3-phenylurea
CID 110774998
N-[(4-fluorophenyl)methyl]-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide
CID 110768429
N'-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]oxamide
CID 115191821
N-[(2-methylphenyl)methyl]-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide
CID 110768423
6-(4-pyridin-2-ylsulfanylbutoxy)-3,4-dihydro-1H-quinolin-2-one
CID 20539996
N-[[3-(2-oxoazetidin-1-yl)phenyl]methyl]-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide
CID 166410295
1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]-3-propylurea
CID 110775002
4-fluoro-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]benzamide
CID 110781545
2-[[5-(1-adamantyl)-1,3-benzoxazol-2-yl]sulfanyl]-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]acetamide
CID 26434841

Frequently Asked Questions

What is the IUPAC name of N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]-2-pyridin-2-ylsulfanylacetamide?
The IUPAC name of N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]-2-pyridin-2-ylsulfanylacetamide (CID 26434790) is N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]-2-pyridin-2-ylsulfanylacetamide.
What is the SMILES notation for N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]-2-pyridin-2-ylsulfanylacetamide?
The canonical SMILES for N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]-2-pyridin-2-ylsulfanylacetamide is O=C(CSc1ccccn1)NCc1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]-2-pyridin-2-ylsulfanylacetamide?
The InChIKey is IDZOAYPMUKCWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c21-15-7-5-13-9-12(4-6-14(13)20-15)10-19-16(22)11-23-17-3-1-2-8-18-17/h1-4,6,8-9H,5,7,10-11H2,(H,19,22)(H,20,21).
What are the key properties of N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]-2-pyridin-2-ylsulfanylacetamide?
N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]-2-pyridin-2-ylsulfanylacetamide has a molecular weight of 327.41 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]-2-pyridin-2-ylsulfanylacetamide is sourced from PubChem (CID 26434790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).