2-methyl-4-(2-methyloxolan-3-yl)sulfanylquinolin-6-amine

C15H18N2OS — CID 107747606

IUPAC2-methyl-4-(2-methyloxolan-3-yl)sulfanylquinolin-6-amine
SMILESCc1cc(SC2CCOC2C)c2cc(N)ccc2n1
InChIInChI=1S/C15H18N2OS/c1-9-7-15(19-14-5-6-18-10(14)2)12-8-11(16)3-4-13(12)17-9/h3-4,7-8,10,14H,5-6,16H2,1-2H3
InChIKeyQINGQTYWMHUKOU-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.39
Rot. Bonds2

About 2-methyl-4-(2-methyloxolan-3-yl)sulfanylquinolin-6-amine

2-methyl-4-(2-methyloxolan-3-yl)sulfanylquinolin-6-amine (PubChem CID 107747606) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 2-methyl-4-(2-methyloxolan-3-yl)sulfanylquinolin-6-amine.

Molecular Properties

Compound Name2-methyl-4-(2-methyloxolan-3-yl)sulfanylquinolin-6-amine
PubChem CID107747606
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name2-methyl-4-(2-methyloxolan-3-yl)sulfanylquinolin-6-amine
SMILESCc1cc(SC2CCOC2C)c2cc(N)ccc2n1
InChIInChI=1S/C15H18N2OS/c1-9-7-15(19-14-5-6-18-10(14)2)12-8-11(16)3-4-13(12)17-9/h3-4,7-8,10,14H,5-6,16H2,1-2H3
InChIKeyQINGQTYWMHUKOU-UHFFFAOYSA-N
XLogP3.39
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methyloxolan-3-yl)sulfanyl-3H-benzimidazol-5-amine
CID 107747619
2-methyl-4-methylsulfanylquinolin-6-amine
CID 18007705
[4,6-dimethyl-2-(2-methyloxolan-3-yl)sulfanyl-3-pyridinyl]methanamine
CID 107751923
5-fluoro-4-methyl-2-(2-methyloxolan-3-yl)sulfanylaniline
CID 107747628
4-amino-3-(2-methyloxolan-3-yl)sulfanylbenzoic acid
CID 107752881
2-[(2-methyloxolan-3-yl)sulfanylmethyl]-1,3-benzoxazol-5-amine
CID 107748267
2-(2-methyloxolan-3-yl)sulfanyl-5-(trifluoromethyl)aniline
CID 107747515
2-methyl-4-N-(3-methylcyclopentyl)quinoline-4,6-diamine
CID 114543215
2-(2-methyloxolan-3-yl)sulfanyl-6-methylsulfonylaniline
CID 107747565
(1R)-1-[2-(2-methyloxolan-3-yl)sulfanylphenyl]ethanamine
CID 107750521
2-(2-methyloxolan-3-yl)sulfanylpyridin-3-amine
CID 107747529
[2-(2-methyloxolan-3-yl)sulfanylphenyl]methanamine
CID 107751940

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2-methyloxolan-3-yl)sulfanylquinolin-6-amine?
The IUPAC name of 2-methyl-4-(2-methyloxolan-3-yl)sulfanylquinolin-6-amine (CID 107747606) is 2-methyl-4-(2-methyloxolan-3-yl)sulfanylquinolin-6-amine.
What is the SMILES notation for 2-methyl-4-(2-methyloxolan-3-yl)sulfanylquinolin-6-amine?
The canonical SMILES for 2-methyl-4-(2-methyloxolan-3-yl)sulfanylquinolin-6-amine is Cc1cc(SC2CCOC2C)c2cc(N)ccc2n1.
What is the InChIKey of 2-methyl-4-(2-methyloxolan-3-yl)sulfanylquinolin-6-amine?
The InChIKey is QINGQTYWMHUKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-9-7-15(19-14-5-6-18-10(14)2)12-8-11(16)3-4-13(12)17-9/h3-4,7-8,10,14H,5-6,16H2,1-2H3.
What are the key properties of 2-methyl-4-(2-methyloxolan-3-yl)sulfanylquinolin-6-amine?
2-methyl-4-(2-methyloxolan-3-yl)sulfanylquinolin-6-amine has a molecular weight of 274.39 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2-methyloxolan-3-yl)sulfanylquinolin-6-amine is sourced from PubChem (CID 107747606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).