6-amino-1-(2-phenylsulfanylethyl)-3,4-dihydroquinolin-2-one

C17H18N2OS — CID 79227394

IUPAC6-amino-1-(2-phenylsulfanylethyl)-3,4-dihydroquinolin-2-one
SMILESNc1ccc2c(c1)CCC(=O)N2CCSc1ccccc1
InChIInChI=1S/C17H18N2OS/c18-14-7-8-16-13(12-14)6-9-17(20)19(16)10-11-21-15-4-2-1-3-5-15/h1-5,7-8,12H,6,9-11,18H2
InChIKeySVFCXQZPIFRUQZ-UHFFFAOYSA-N
MW298.41 g/mol
LogP3.34
Rot. Bonds4

About 6-amino-1-(2-phenylsulfanylethyl)-3,4-dihydroquinolin-2-one

6-amino-1-(2-phenylsulfanylethyl)-3,4-dihydroquinolin-2-one (PubChem CID 79227394) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is 6-amino-1-(2-phenylsulfanylethyl)-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-amino-1-(2-phenylsulfanylethyl)-3,4-dihydroquinolin-2-one
PubChem CID79227394
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC Name6-amino-1-(2-phenylsulfanylethyl)-3,4-dihydroquinolin-2-one
SMILESNc1ccc2c(c1)CCC(=O)N2CCSc1ccccc1
InChIInChI=1S/C17H18N2OS/c18-14-7-8-16-13(12-14)6-9-17(20)19(16)10-11-21-15-4-2-1-3-5-15/h1-5,7-8,12H,6,9-11,18H2
InChIKeySVFCXQZPIFRUQZ-UHFFFAOYSA-N
XLogP3.34
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-amino-1-[2-(trifluoromethylsulfanyl)ethyl]-3,4-dihydroquinolin-2-one
CID 116615835
6-amino-1-(2-sulfanylethyl)-3,4-dihydroquinolin-2-one
CID 115223654
1-(2-phenylsulfanylethyl)azepane-2,7-dione
CID 112731273
4-(6-amino-2-oxo-3,4-dihydroquinolin-1-yl)butanenitrile
CID 43446567
7-amino-1-[2-(trifluoromethylsulfanyl)ethyl]-4,5-dihydro-3H-1-benzazepin-2-one
CID 116615836
6-amino-1-[3-(dimethylamino)propyl]-3,4-dihydroquinolin-2-one
CID 53392260
6-amino-1-[(2-methylphenyl)methyl]-3,4-dihydroquinolin-2-one
CID 43446579
6-amino-1-[(2,6-difluorophenyl)methyl]-3,4-dihydroquinolin-2-one
CID 114930164
6-amino-1-[(1-aminocyclopropyl)methyl]-3,4-dihydroquinolin-2-one
CID 115256369
6-amino-1-(2-ethylbutyl)-3,4-dihydroquinolin-2-one
CID 82926292
6-amino-1-[[(1R)-2,2-dichlorocyclopropyl]methyl]-3,4-dihydroquinolin-2-one
CID 125483451
6-amino-1-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydroquinolin-2-one
CID 61311449

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-(2-phenylsulfanylethyl)-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-amino-1-(2-phenylsulfanylethyl)-3,4-dihydroquinolin-2-one (CID 79227394) is 6-amino-1-(2-phenylsulfanylethyl)-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-amino-1-(2-phenylsulfanylethyl)-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-amino-1-(2-phenylsulfanylethyl)-3,4-dihydroquinolin-2-one is Nc1ccc2c(c1)CCC(=O)N2CCSc1ccccc1.
What is the InChIKey of 6-amino-1-(2-phenylsulfanylethyl)-3,4-dihydroquinolin-2-one?
The InChIKey is SVFCXQZPIFRUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS/c18-14-7-8-16-13(12-14)6-9-17(20)19(16)10-11-21-15-4-2-1-3-5-15/h1-5,7-8,12H,6,9-11,18H2.
What are the key properties of 6-amino-1-(2-phenylsulfanylethyl)-3,4-dihydroquinolin-2-one?
6-amino-1-(2-phenylsulfanylethyl)-3,4-dihydroquinolin-2-one has a molecular weight of 298.41 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-(2-phenylsulfanylethyl)-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 79227394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).