2-methyl-4-N-(thiolan-3-ylmethyl)quinoline-4,6-diamine

C15H19N3S — CID 107294982

IUPAC2-methyl-4-N-(thiolan-3-ylmethyl)quinoline-4,6-diamine
SMILESCc1cc(NCC2CCSC2)c2cc(N)ccc2n1
InChIInChI=1S/C15H19N3S/c1-10-6-15(17-8-11-4-5-19-9-11)13-7-12(16)2-3-14(13)18-10/h2-3,6-7,11H,4-5,8-9,16H2,1H3,(H,17,18)
InChIKeyQEOXCBGRTOALRD-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.29
Rot. Bonds3

About 2-methyl-4-N-(thiolan-3-ylmethyl)quinoline-4,6-diamine

2-methyl-4-N-(thiolan-3-ylmethyl)quinoline-4,6-diamine (PubChem CID 107294982) has the molecular formula C15H19N3S and a molecular weight of 273.40 g/mol. Its IUPAC name is 2-methyl-4-N-(thiolan-3-ylmethyl)quinoline-4,6-diamine.

Molecular Properties

Compound Name2-methyl-4-N-(thiolan-3-ylmethyl)quinoline-4,6-diamine
PubChem CID107294982
Molecular FormulaC15H19N3S
Molecular Weight273.40 g/mol
Exact Mass273.13
IUPAC Name2-methyl-4-N-(thiolan-3-ylmethyl)quinoline-4,6-diamine
SMILESCc1cc(NCC2CCSC2)c2cc(N)ccc2n1
InChIInChI=1S/C15H19N3S/c1-10-6-15(17-8-11-4-5-19-9-11)13-7-12(16)2-3-14(13)18-10/h2-3,6-7,11H,4-5,8-9,16H2,1H3,(H,17,18)
InChIKeyQEOXCBGRTOALRD-UHFFFAOYSA-N
XLogP3.29
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.29
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

4-N-(2,2-difluoroethyl)-2-methylquinoline-4,6-diamine
CID 113383859
5-methoxy-2-methyl-N-(thiolan-3-ylmethyl)pyridin-4-amine
CID 107296752
N-[(3-aminocyclopentyl)methyl]-2-methylquinolin-4-amine
CID 106127195
2-N-(thiolan-3-ylmethyl)pyridine-2,4-diamine
CID 107294970
2-hydrazinyl-6-methyl-N-(thiolan-3-ylmethyl)pyrimidin-4-amine
CID 107298910
4-N-[2-(cyclohexen-1-yl)ethyl]-2-methylquinoline-4,6-diamine
CID 107846198
2-methyl-4-N-(4-methylphenyl)quinoline-4,6-diamine
CID 22417903
2,4-dimethyl-N-(thiolan-3-ylmethyl)aniline
CID 107131111
2-methyl-4-N-(3-methylcyclopentyl)quinoline-4,6-diamine
CID 114543215
4-bromo-2-methyl-N-(thiolan-3-ylmethyl)aniline
CID 107131146
N-[3-[(6-amino-2-methylquinolin-4-yl)amino]propyl]methanesulfonamide
CID 106333831
2-N-(thiolan-3-ylmethyl)pyrimidine-2,5-diamine
CID 107294936

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-N-(thiolan-3-ylmethyl)quinoline-4,6-diamine?
The IUPAC name of 2-methyl-4-N-(thiolan-3-ylmethyl)quinoline-4,6-diamine (CID 107294982) is 2-methyl-4-N-(thiolan-3-ylmethyl)quinoline-4,6-diamine.
What is the SMILES notation for 2-methyl-4-N-(thiolan-3-ylmethyl)quinoline-4,6-diamine?
The canonical SMILES for 2-methyl-4-N-(thiolan-3-ylmethyl)quinoline-4,6-diamine is Cc1cc(NCC2CCSC2)c2cc(N)ccc2n1.
What is the InChIKey of 2-methyl-4-N-(thiolan-3-ylmethyl)quinoline-4,6-diamine?
The InChIKey is QEOXCBGRTOALRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c1-10-6-15(17-8-11-4-5-19-9-11)13-7-12(16)2-3-14(13)18-10/h2-3,6-7,11H,4-5,8-9,16H2,1H3,(H,17,18).
What are the key properties of 2-methyl-4-N-(thiolan-3-ylmethyl)quinoline-4,6-diamine?
2-methyl-4-N-(thiolan-3-ylmethyl)quinoline-4,6-diamine has a molecular weight of 273.40 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-N-(thiolan-3-ylmethyl)quinoline-4,6-diamine is sourced from PubChem (CID 107294982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).