7-amino-6-[methyl(1-methylsulfanylbutan-2-yl)amino]-3,4-dihydro-1H-quinolin-2-one

C15H23N3OS — CID 115985270

IUPAC7-amino-6-[methyl(1-methylsulfanylbutan-2-yl)amino]-3,4-dihydro-1H-quinolin-2-one
SMILESCCC(CSC)N(C)c1cc2c(cc1N)NC(=O)CC2
InChIInChI=1S/C15H23N3OS/c1-4-11(9-20-3)18(2)14-7-10-5-6-15(19)17-13(10)8-12(14)16/h7-8,11H,4-6,9,16H2,1-3H3,(H,17,19)
InChIKeyKOSRMRGHICJHIC-UHFFFAOYSA-N
MW293.44 g/mol
LogP2.73
Rot. Bonds5

About 7-amino-6-[methyl(1-methylsulfanylbutan-2-yl)amino]-3,4-dihydro-1H-quinolin-2-one

7-amino-6-[methyl(1-methylsulfanylbutan-2-yl)amino]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 115985270) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is 7-amino-6-[methyl(1-methylsulfanylbutan-2-yl)amino]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-amino-6-[methyl(1-methylsulfanylbutan-2-yl)amino]-3,4-dihydro-1H-quinolin-2-one
PubChem CID115985270
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC Name7-amino-6-[methyl(1-methylsulfanylbutan-2-yl)amino]-3,4-dihydro-1H-quinolin-2-one
SMILESCCC(CSC)N(C)c1cc2c(cc1N)NC(=O)CC2
InChIInChI=1S/C15H23N3OS/c1-4-11(9-20-3)18(2)14-7-10-5-6-15(19)17-13(10)8-12(14)16/h7-8,11H,4-6,9,16H2,1-3H3,(H,17,19)
InChIKeyKOSRMRGHICJHIC-UHFFFAOYSA-N
XLogP2.73
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-amino-6-[butyl(ethyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 43449753
7-amino-6-[methyl-(1-methylpiperidin-4-yl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 43449739
6-amino-7-[methyl(2-methylpropyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 43383607
7-amino-6-[bis(2-methoxyethyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 43587943
6-amino-7-(butan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43455512
6-amino-7-[2-hydroxyethyl(methyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 43455612
6-amino-7-[(2-methyl-3-methylsulfanylpropyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 63982484
7-amino-6-(3-hydroxy-2-methylpropyl)sulfanyl-3,4-dihydro-1H-quinolin-2-one
CID 66103975
3-amino-4-[methyl(1-methylsulfanylbutan-2-yl)amino]benzoic acid
CID 112663507
6-amino-7-bromo-3,4-dihydro-1H-quinolin-2-one
CID 117209588
7-amino-6-(4-hydroxybutan-2-ylsulfanyl)-3,4-dihydro-1H-quinolin-2-one
CID 66105681
3-amino-4-[methyl(1-methylsulfanylbutan-2-yl)amino]benzonitrile
CID 112656900

Frequently Asked Questions

What is the IUPAC name of 7-amino-6-[methyl(1-methylsulfanylbutan-2-yl)amino]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-amino-6-[methyl(1-methylsulfanylbutan-2-yl)amino]-3,4-dihydro-1H-quinolin-2-one (CID 115985270) is 7-amino-6-[methyl(1-methylsulfanylbutan-2-yl)amino]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-amino-6-[methyl(1-methylsulfanylbutan-2-yl)amino]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-amino-6-[methyl(1-methylsulfanylbutan-2-yl)amino]-3,4-dihydro-1H-quinolin-2-one is CCC(CSC)N(C)c1cc2c(cc1N)NC(=O)CC2.
What is the InChIKey of 7-amino-6-[methyl(1-methylsulfanylbutan-2-yl)amino]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is KOSRMRGHICJHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-4-11(9-20-3)18(2)14-7-10-5-6-15(19)17-13(10)8-12(14)16/h7-8,11H,4-6,9,16H2,1-3H3,(H,17,19).
What are the key properties of 7-amino-6-[methyl(1-methylsulfanylbutan-2-yl)amino]-3,4-dihydro-1H-quinolin-2-one?
7-amino-6-[methyl(1-methylsulfanylbutan-2-yl)amino]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 293.44 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-6-[methyl(1-methylsulfanylbutan-2-yl)amino]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 115985270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).