1-methyl-4-[(2-methylthiolan-2-yl)methylamino]-3,4-dihydroquinolin-2-one

C16H22N2OS — CID 80726722

IUPAC1-methyl-4-[(2-methylthiolan-2-yl)methylamino]-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CC(NCC2(C)CCCS2)c2ccccc21
InChIInChI=1S/C16H22N2OS/c1-16(8-5-9-20-16)11-17-13-10-15(19)18(2)14-7-4-3-6-12(13)14/h3-4,6-7,13,17H,5,8-11H2,1-2H3
InChIKeyBUIGNSGDOWFMRV-UHFFFAOYSA-N
MW290.43 g/mol
LogP2.97
Rot. Bonds3

About 1-methyl-4-[(2-methylthiolan-2-yl)methylamino]-3,4-dihydroquinolin-2-one

1-methyl-4-[(2-methylthiolan-2-yl)methylamino]-3,4-dihydroquinolin-2-one (PubChem CID 80726722) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is 1-methyl-4-[(2-methylthiolan-2-yl)methylamino]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-methyl-4-[(2-methylthiolan-2-yl)methylamino]-3,4-dihydroquinolin-2-one
PubChem CID80726722
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name1-methyl-4-[(2-methylthiolan-2-yl)methylamino]-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CC(NCC2(C)CCCS2)c2ccccc21
InChIInChI=1S/C16H22N2OS/c1-16(8-5-9-20-16)11-17-13-10-15(19)18(2)14-7-4-3-6-12(13)14/h3-4,6-7,13,17H,5,8-11H2,1-2H3
InChIKeyBUIGNSGDOWFMRV-UHFFFAOYSA-N
XLogP2.97
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(2-methylthiolan-2-yl)methylamino]-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-methyl-4-[(2-methylthiolan-2-yl)methylamino]-3,4-dihydroquinolin-2-one (CID 80726722) is 1-methyl-4-[(2-methylthiolan-2-yl)methylamino]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-methyl-4-[(2-methylthiolan-2-yl)methylamino]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-methyl-4-[(2-methylthiolan-2-yl)methylamino]-3,4-dihydroquinolin-2-one is CN1C(=O)CC(NCC2(C)CCCS2)c2ccccc21.
What is the InChIKey of 1-methyl-4-[(2-methylthiolan-2-yl)methylamino]-3,4-dihydroquinolin-2-one?
The InChIKey is BUIGNSGDOWFMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-16(8-5-9-20-16)11-17-13-10-15(19)18(2)14-7-4-3-6-12(13)14/h3-4,6-7,13,17H,5,8-11H2,1-2H3.
What are the key properties of 1-methyl-4-[(2-methylthiolan-2-yl)methylamino]-3,4-dihydroquinolin-2-one?
1-methyl-4-[(2-methylthiolan-2-yl)methylamino]-3,4-dihydroquinolin-2-one has a molecular weight of 290.43 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(2-methylthiolan-2-yl)methylamino]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 80726722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).