(2S)-2-[(4-methyl-7-methylsulfanylquinolin-2-yl)amino]propan-1-ol

C14H18N2OS — CID 39791296

IUPAC(2S)-2-[(4-methyl-7-methylsulfanylquinolin-2-yl)amino]propan-1-ol
SMILESCSc1ccc2c(C)cc(N[C@@H](C)CO)nc2c1
InChIInChI=1S/C14H18N2OS/c1-9-6-14(15-10(2)8-17)16-13-7-11(18-3)4-5-12(9)13/h4-7,10,17H,8H2,1-3H3,(H,15,16)/t10-/m0/s1
InChIKeyFUHLLOVBAUNNQX-JTQLQIEISA-N
MW262.38 g/mol
LogP3.06
Rot. Bonds4

About (2S)-2-[(4-methyl-7-methylsulfanylquinolin-2-yl)amino]propan-1-ol

(2S)-2-[(4-methyl-7-methylsulfanylquinolin-2-yl)amino]propan-1-ol (PubChem CID 39791296) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is (2S)-2-[(4-methyl-7-methylsulfanylquinolin-2-yl)amino]propan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(4-methyl-7-methylsulfanylquinolin-2-yl)amino]propan-1-ol
PubChem CID39791296
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name(2S)-2-[(4-methyl-7-methylsulfanylquinolin-2-yl)amino]propan-1-ol
SMILESCSc1ccc2c(C)cc(N[C@@H](C)CO)nc2c1
InChIInChI=1S/C14H18N2OS/c1-9-6-14(15-10(2)8-17)16-13-7-11(18-3)4-5-12(9)13/h4-7,10,17H,8H2,1-3H3,(H,15,16)/t10-/m0/s1
InChIKeyFUHLLOVBAUNNQX-JTQLQIEISA-N
XLogP3.06
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-methyl-7-methylsulfanylquinolin-2-yl)amino]propan-1-ol?
The IUPAC name of (2S)-2-[(4-methyl-7-methylsulfanylquinolin-2-yl)amino]propan-1-ol (CID 39791296) is (2S)-2-[(4-methyl-7-methylsulfanylquinolin-2-yl)amino]propan-1-ol.
What is the SMILES notation for (2S)-2-[(4-methyl-7-methylsulfanylquinolin-2-yl)amino]propan-1-ol?
The canonical SMILES for (2S)-2-[(4-methyl-7-methylsulfanylquinolin-2-yl)amino]propan-1-ol is CSc1ccc2c(C)cc(N[C@@H](C)CO)nc2c1.
What is the InChIKey of (2S)-2-[(4-methyl-7-methylsulfanylquinolin-2-yl)amino]propan-1-ol?
The InChIKey is FUHLLOVBAUNNQX-JTQLQIEISA-N. The full InChI is InChI=1S/C14H18N2OS/c1-9-6-14(15-10(2)8-17)16-13-7-11(18-3)4-5-12(9)13/h4-7,10,17H,8H2,1-3H3,(H,15,16)/t10-/m0/s1.
What are the key properties of (2S)-2-[(4-methyl-7-methylsulfanylquinolin-2-yl)amino]propan-1-ol?
(2S)-2-[(4-methyl-7-methylsulfanylquinolin-2-yl)amino]propan-1-ol has a molecular weight of 262.38 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-methyl-7-methylsulfanylquinolin-2-yl)amino]propan-1-ol is sourced from PubChem (CID 39791296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).