6-(methylamino)-1-(3-sulfanylpropyl)-3,4-dihydroquinolin-2-one

C13H18N2OS — CID 115224728

IUPAC6-(methylamino)-1-(3-sulfanylpropyl)-3,4-dihydroquinolin-2-one
SMILESCNc1ccc2c(c1)CCC(=O)N2CCCS
InChIInChI=1S/C13H18N2OS/c1-14-11-4-5-12-10(9-11)3-6-13(16)15(12)7-2-8-17/h4-5,9,14,17H,2-3,6-8H2,1H3
InChIKeyJOIKZCRXRDKVDA-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.33
Rot. Bonds4

About 6-(methylamino)-1-(3-sulfanylpropyl)-3,4-dihydroquinolin-2-one

6-(methylamino)-1-(3-sulfanylpropyl)-3,4-dihydroquinolin-2-one (PubChem CID 115224728) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is 6-(methylamino)-1-(3-sulfanylpropyl)-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-(methylamino)-1-(3-sulfanylpropyl)-3,4-dihydroquinolin-2-one
PubChem CID115224728
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC Name6-(methylamino)-1-(3-sulfanylpropyl)-3,4-dihydroquinolin-2-one
SMILESCNc1ccc2c(c1)CCC(=O)N2CCCS
InChIInChI=1S/C13H18N2OS/c1-14-11-4-5-12-10(9-11)3-6-13(16)15(12)7-2-8-17/h4-5,9,14,17H,2-3,6-8H2,1H3
InChIKeyJOIKZCRXRDKVDA-UHFFFAOYSA-N
XLogP2.33
TPSA32.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(methylamino)-1-(3-oxobutyl)-3,4-dihydroquinolin-2-one
CID 115235513
1-(2-amino-2-methylpropyl)-6-(methylamino)-3,4-dihydroquinolin-2-one
CID 115135758
4-[6-(methylamino)-2-oxo-3,4-dihydroquinolin-1-yl]-3-oxobutanenitrile
CID 117038333
N-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)pentanamide
CID 16926947
N-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-2,2-dimethylpropanamide
CID 16926976
6-amino-1-(2-sulfanylethyl)-3,4-dihydroquinolin-2-one
CID 115223654
1-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(4-chlorophenyl)urea
CID 30376690
1-ethyl-5-(methylamino)-3H-indol-2-one
CID 82551072
6-(cyclopropylamino)-1-(3-pyrrolidin-1-ylpropyl)-3,4-dihydroquinolin-2-one
CID 159127321
6-amino-1-[3-(dimethylamino)propyl]-3,4-dihydroquinolin-2-one
CID 53392260
5-[2-(methylamino)ethyl]-1-(3-sulfanylpropyl)-3H-indol-2-one
CID 115225243
1-bromo-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)methanesulfonamide
CID 16927317

Frequently Asked Questions

What is the IUPAC name of 6-(methylamino)-1-(3-sulfanylpropyl)-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-(methylamino)-1-(3-sulfanylpropyl)-3,4-dihydroquinolin-2-one (CID 115224728) is 6-(methylamino)-1-(3-sulfanylpropyl)-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-(methylamino)-1-(3-sulfanylpropyl)-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-(methylamino)-1-(3-sulfanylpropyl)-3,4-dihydroquinolin-2-one is CNc1ccc2c(c1)CCC(=O)N2CCCS.
What is the InChIKey of 6-(methylamino)-1-(3-sulfanylpropyl)-3,4-dihydroquinolin-2-one?
The InChIKey is JOIKZCRXRDKVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-14-11-4-5-12-10(9-11)3-6-13(16)15(12)7-2-8-17/h4-5,9,14,17H,2-3,6-8H2,1H3.
What are the key properties of 6-(methylamino)-1-(3-sulfanylpropyl)-3,4-dihydroquinolin-2-one?
6-(methylamino)-1-(3-sulfanylpropyl)-3,4-dihydroquinolin-2-one has a molecular weight of 250.37 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methylamino)-1-(3-sulfanylpropyl)-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 115224728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).