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

C14H19N3OS — CID 43455627

IUPAC6-amino-7-[methyl(thiolan-3-yl)amino]-3,4-dihydro-1H-quinolin-2-one
SMILESCN(c1cc2c(cc1N)CCC(=O)N2)C1CCSC1
InChIInChI=1S/C14H19N3OS/c1-17(10-4-5-19-8-10)13-7-12-9(6-11(13)15)2-3-14(18)16-12/h6-7,10H,2-5,8,15H2,1H3,(H,16,18)
InChIKeyLCZPSJCLOUKJME-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.10
Rot. Bonds2

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

6-amino-7-[methyl(thiolan-3-yl)amino]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 43455627) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 6-amino-7-[methyl(thiolan-3-yl)amino]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-amino-7-[methyl(thiolan-3-yl)amino]-3,4-dihydro-1H-quinolin-2-one
PubChem CID43455627
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name6-amino-7-[methyl(thiolan-3-yl)amino]-3,4-dihydro-1H-quinolin-2-one
SMILESCN(c1cc2c(cc1N)CCC(=O)N2)C1CCSC1
InChIInChI=1S/C14H19N3OS/c1-17(10-4-5-19-8-10)13-7-12-9(6-11(13)15)2-3-14(18)16-12/h6-7,10H,2-5,8,15H2,1H3,(H,16,18)
InChIKeyLCZPSJCLOUKJME-UHFFFAOYSA-N
XLogP2.10
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-7-[methyl(thiolan-3-yl)amino]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-amino-7-[methyl(thiolan-3-yl)amino]-3,4-dihydro-1H-quinolin-2-one (CID 43455627) is 6-amino-7-[methyl(thiolan-3-yl)amino]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-amino-7-[methyl(thiolan-3-yl)amino]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-amino-7-[methyl(thiolan-3-yl)amino]-3,4-dihydro-1H-quinolin-2-one is CN(c1cc2c(cc1N)CCC(=O)N2)C1CCSC1.
What is the InChIKey of 6-amino-7-[methyl(thiolan-3-yl)amino]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is LCZPSJCLOUKJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-17(10-4-5-19-8-10)13-7-12-9(6-11(13)15)2-3-14(18)16-12/h6-7,10H,2-5,8,15H2,1H3,(H,16,18).
What are the key properties of 6-amino-7-[methyl(thiolan-3-yl)amino]-3,4-dihydro-1H-quinolin-2-one?
6-amino-7-[methyl(thiolan-3-yl)amino]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 277.39 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-7-[methyl(thiolan-3-yl)amino]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 43455627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).