1-methyl-4-(3-methylsulfanylpropylamino)-3,4-dihydroquinolin-2-one

C14H20N2OS — CID 63981224

IUPAC1-methyl-4-(3-methylsulfanylpropylamino)-3,4-dihydroquinolin-2-one
SMILESCSCCCNC1CC(=O)N(C)c2ccccc21
InChIInChI=1S/C14H20N2OS/c1-16-13-7-4-3-6-11(13)12(10-14(16)17)15-8-5-9-18-2/h3-4,6-7,12,15H,5,8-10H2,1-2H3
InChIKeyISVGZKJRLRFBOG-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.44
Rot. Bonds5

About 1-methyl-4-(3-methylsulfanylpropylamino)-3,4-dihydroquinolin-2-one

1-methyl-4-(3-methylsulfanylpropylamino)-3,4-dihydroquinolin-2-one (PubChem CID 63981224) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is 1-methyl-4-(3-methylsulfanylpropylamino)-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-methyl-4-(3-methylsulfanylpropylamino)-3,4-dihydroquinolin-2-one
PubChem CID63981224
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name1-methyl-4-(3-methylsulfanylpropylamino)-3,4-dihydroquinolin-2-one
SMILESCSCCCNC1CC(=O)N(C)c2ccccc21
InChIInChI=1S/C14H20N2OS/c1-16-13-7-4-3-6-11(13)12(10-14(16)17)15-8-5-9-18-2/h3-4,6-7,12,15H,5,8-10H2,1-2H3
InChIKeyISVGZKJRLRFBOG-UHFFFAOYSA-N
XLogP2.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(3-methylsulfanylpropylamino)-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-methyl-4-(3-methylsulfanylpropylamino)-3,4-dihydroquinolin-2-one (CID 63981224) is 1-methyl-4-(3-methylsulfanylpropylamino)-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-methyl-4-(3-methylsulfanylpropylamino)-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-methyl-4-(3-methylsulfanylpropylamino)-3,4-dihydroquinolin-2-one is CSCCCNC1CC(=O)N(C)c2ccccc21.
What is the InChIKey of 1-methyl-4-(3-methylsulfanylpropylamino)-3,4-dihydroquinolin-2-one?
The InChIKey is ISVGZKJRLRFBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-16-13-7-4-3-6-11(13)12(10-14(16)17)15-8-5-9-18-2/h3-4,6-7,12,15H,5,8-10H2,1-2H3.
What are the key properties of 1-methyl-4-(3-methylsulfanylpropylamino)-3,4-dihydroquinolin-2-one?
1-methyl-4-(3-methylsulfanylpropylamino)-3,4-dihydroquinolin-2-one has a molecular weight of 264.39 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(3-methylsulfanylpropylamino)-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 63981224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).