N-(2-amino-2-oxoethyl)-4-oxo-4-(8-sulfanylquinolin-5-yl)butanamide

C15H15N3O3S — CID 158160980

IUPACN-(2-amino-2-oxoethyl)-4-oxo-4-(8-sulfanylquinolin-5-yl)butanamide
SMILESNC(=O)CNC(=O)CCC(=O)c1ccc(S)c2ncccc12
InChIInChI=1S/C15H15N3O3S/c16-13(20)8-18-14(21)6-4-11(19)9-3-5-12(22)15-10(9)2-1-7-17-15/h1-3,5,7,22H,4,6,8H2,(H2,16,20)(H,18,21)
InChIKeyFWGPPYREEHIFQG-UHFFFAOYSA-N
MW317.37 g/mol
LogP1.09
Rot. Bonds6

About N-(2-amino-2-oxoethyl)-4-oxo-4-(8-sulfanylquinolin-5-yl)butanamide

N-(2-amino-2-oxoethyl)-4-oxo-4-(8-sulfanylquinolin-5-yl)butanamide (PubChem CID 158160980) has the molecular formula C15H15N3O3S and a molecular weight of 317.37 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-4-oxo-4-(8-sulfanylquinolin-5-yl)butanamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-4-oxo-4-(8-sulfanylquinolin-5-yl)butanamide
PubChem CID158160980
Molecular FormulaC15H15N3O3S
Molecular Weight317.37 g/mol
Exact Mass317.08
IUPAC NameN-(2-amino-2-oxoethyl)-4-oxo-4-(8-sulfanylquinolin-5-yl)butanamide
SMILESNC(=O)CNC(=O)CCC(=O)c1ccc(S)c2ncccc12
InChIInChI=1S/C15H15N3O3S/c16-13(20)8-18-14(21)6-4-11(19)9-3-5-12(22)15-10(9)2-1-7-17-15/h1-3,5,7,22H,4,6,8H2,(H2,16,20)(H,18,21)
InChIKeyFWGPPYREEHIFQG-UHFFFAOYSA-N
XLogP1.09
TPSA102.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

3-phenyl-1-(8-sulfanylquinolin-5-yl)propan-1-one
CID 157109723
5-phenyl-1-(8-sulfanylquinolin-5-yl)pentan-1-one
CID 161319830
4-methyl-1-(8-sulfanylquinolin-4-yl)pentan-1-one
CID 161265475
N-[2-(dimethylamino)ethyl]-N-ethyl-8-sulfanylquinoline-5-carboxamide
CID 161259110
2-(dimethylamino)-N-[(8-sulfanylquinolin-5-yl)methyl]acetamide
CID 153373939
N-(2-amino-2-oxoethyl)-2-methylpyridine-3-carboxamide
CID 78953566
3-pyrrolidin-2-yl-1-(8-sulfanylquinolin-4-yl)propan-1-one
CID 158930235
(2-ethylpiperidin-1-yl)-(8-sulfanylquinolin-5-yl)methanone
CID 157384035
8-ethoxyquinoline-5-carbohydrazide
CID 84613958
N-(2-amino-2-oxoethyl)-2-(methylamino)pyridine-3-carboxamide
CID 62172228
CID 20678160
CID 20678160
8-(benzylamino)quinoline-5-carboxamide
CID 58516198

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-4-oxo-4-(8-sulfanylquinolin-5-yl)butanamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-4-oxo-4-(8-sulfanylquinolin-5-yl)butanamide (CID 158160980) is N-(2-amino-2-oxoethyl)-4-oxo-4-(8-sulfanylquinolin-5-yl)butanamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-4-oxo-4-(8-sulfanylquinolin-5-yl)butanamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-4-oxo-4-(8-sulfanylquinolin-5-yl)butanamide is NC(=O)CNC(=O)CCC(=O)c1ccc(S)c2ncccc12.
What is the InChIKey of N-(2-amino-2-oxoethyl)-4-oxo-4-(8-sulfanylquinolin-5-yl)butanamide?
The InChIKey is FWGPPYREEHIFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S/c16-13(20)8-18-14(21)6-4-11(19)9-3-5-12(22)15-10(9)2-1-7-17-15/h1-3,5,7,22H,4,6,8H2,(H2,16,20)(H,18,21).
What are the key properties of N-(2-amino-2-oxoethyl)-4-oxo-4-(8-sulfanylquinolin-5-yl)butanamide?
N-(2-amino-2-oxoethyl)-4-oxo-4-(8-sulfanylquinolin-5-yl)butanamide has a molecular weight of 317.37 g/mol, XLogP of 1.09, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-4-oxo-4-(8-sulfanylquinolin-5-yl)butanamide is sourced from PubChem (CID 158160980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).