4-(dimethylamino)-N-(8-sulfanylquinolin-3-yl)butanamide

C15H19N3OS — CID 159127729

IUPAC4-(dimethylamino)-N-(8-sulfanylquinolin-3-yl)butanamide
SMILESCN(C)CCCC(=O)Nc1cnc2c(S)cccc2c1
InChIInChI=1S/C15H19N3OS/c1-18(2)8-4-7-14(19)17-12-9-11-5-3-6-13(20)15(11)16-10-12/h3,5-6,9-10,20H,4,7-8H2,1-2H3,(H,17,19)
InChIKeyKGMMKOPVQWJEKG-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.80
Rot. Bonds5

About 4-(dimethylamino)-N-(8-sulfanylquinolin-3-yl)butanamide

4-(dimethylamino)-N-(8-sulfanylquinolin-3-yl)butanamide (PubChem CID 159127729) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 4-(dimethylamino)-N-(8-sulfanylquinolin-3-yl)butanamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-(8-sulfanylquinolin-3-yl)butanamide
PubChem CID159127729
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name4-(dimethylamino)-N-(8-sulfanylquinolin-3-yl)butanamide
SMILESCN(C)CCCC(=O)Nc1cnc2c(S)cccc2c1
InChIInChI=1S/C15H19N3OS/c1-18(2)8-4-7-14(19)17-12-9-11-5-3-6-13(20)15(11)16-10-12/h3,5-6,9-10,20H,4,7-8H2,1-2H3,(H,17,19)
InChIKeyKGMMKOPVQWJEKG-UHFFFAOYSA-N
XLogP2.80
TPSA45.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-(8-sulfanylquinolin-3-yl)butanamide?
The IUPAC name of 4-(dimethylamino)-N-(8-sulfanylquinolin-3-yl)butanamide (CID 159127729) is 4-(dimethylamino)-N-(8-sulfanylquinolin-3-yl)butanamide.
What is the SMILES notation for 4-(dimethylamino)-N-(8-sulfanylquinolin-3-yl)butanamide?
The canonical SMILES for 4-(dimethylamino)-N-(8-sulfanylquinolin-3-yl)butanamide is CN(C)CCCC(=O)Nc1cnc2c(S)cccc2c1.
What is the InChIKey of 4-(dimethylamino)-N-(8-sulfanylquinolin-3-yl)butanamide?
The InChIKey is KGMMKOPVQWJEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-18(2)8-4-7-14(19)17-12-9-11-5-3-6-13(20)15(11)16-10-12/h3,5-6,9-10,20H,4,7-8H2,1-2H3,(H,17,19).
What are the key properties of 4-(dimethylamino)-N-(8-sulfanylquinolin-3-yl)butanamide?
4-(dimethylamino)-N-(8-sulfanylquinolin-3-yl)butanamide has a molecular weight of 289.40 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-(8-sulfanylquinolin-3-yl)butanamide is sourced from PubChem (CID 159127729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).