2-[(2-methylquinolin-6-yl)methylamino]-1-thiophen-3-ylethanol

C17H18N2OS — CID 102609668

IUPAC2-[(2-methylquinolin-6-yl)methylamino]-1-thiophen-3-ylethanol
SMILESCc1ccc2cc(CNCC(O)c3ccsc3)ccc2n1
InChIInChI=1S/C17H18N2OS/c1-12-2-4-14-8-13(3-5-16(14)19-12)9-18-10-17(20)15-6-7-21-11-15/h2-8,11,17-18,20H,9-10H2,1H3
InChIKeyHVHHMYZWAVELHU-UHFFFAOYSA-N
MW298.41 g/mol
LogP3.43
Rot. Bonds5

About 2-[(2-methylquinolin-6-yl)methylamino]-1-thiophen-3-ylethanol

2-[(2-methylquinolin-6-yl)methylamino]-1-thiophen-3-ylethanol (PubChem CID 102609668) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is 2-[(2-methylquinolin-6-yl)methylamino]-1-thiophen-3-ylethanol.

Molecular Properties

Compound Name2-[(2-methylquinolin-6-yl)methylamino]-1-thiophen-3-ylethanol
PubChem CID102609668
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC Name2-[(2-methylquinolin-6-yl)methylamino]-1-thiophen-3-ylethanol
SMILESCc1ccc2cc(CNCC(O)c3ccsc3)ccc2n1
InChIInChI=1S/C17H18N2OS/c1-12-2-4-14-8-13(3-5-16(14)19-12)9-18-10-17(20)15-6-7-21-11-15/h2-8,11,17-18,20H,9-10H2,1H3
InChIKeyHVHHMYZWAVELHU-UHFFFAOYSA-N
XLogP3.43
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-methyl-3-pyridinyl)methylamino]-1-thiophen-3-ylethanol
CID 104755790
2-[(2-methylquinolin-6-yl)methylamino]-2-thiophen-3-ylethanol
CID 119039458
2-methyl-N-[(2-methylquinolin-6-yl)methyl]propan-1-amine
CID 81231609
1-thiophen-3-yl-2-[(4-trimethylsilylphenyl)methylamino]ethanol
CID 106435058
2-fluoro-5-[[(2-hydroxy-2-thiophen-3-ylethyl)amino]methyl]benzonitrile
CID 106434833
N-methyl-1-(2-methylquinolin-6-yl)methanamine
CID 81231391
N-[(2-methylquinolin-6-yl)-thiophen-3-ylmethyl]ethanamine
CID 81220693
1-(2-methylquinolin-6-yl)-3-thiophen-3-ylpropan-1-ol
CID 105379193
2-[(4-propan-2-yloxyphenyl)methylamino]-1-thiophen-3-ylethanol
CID 103685321
2-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]-1-thiophen-3-ylethanol
CID 103685180
2-ethoxy-N-[(2-methylquinolin-6-yl)methyl]propan-1-amine
CID 105378678
2-[(4-cyclopropylphenyl)methylamino]-1-thiophen-3-ylethanol
CID 106434767

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylquinolin-6-yl)methylamino]-1-thiophen-3-ylethanol?
The IUPAC name of 2-[(2-methylquinolin-6-yl)methylamino]-1-thiophen-3-ylethanol (CID 102609668) is 2-[(2-methylquinolin-6-yl)methylamino]-1-thiophen-3-ylethanol.
What is the SMILES notation for 2-[(2-methylquinolin-6-yl)methylamino]-1-thiophen-3-ylethanol?
The canonical SMILES for 2-[(2-methylquinolin-6-yl)methylamino]-1-thiophen-3-ylethanol is Cc1ccc2cc(CNCC(O)c3ccsc3)ccc2n1.
What is the InChIKey of 2-[(2-methylquinolin-6-yl)methylamino]-1-thiophen-3-ylethanol?
The InChIKey is HVHHMYZWAVELHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS/c1-12-2-4-14-8-13(3-5-16(14)19-12)9-18-10-17(20)15-6-7-21-11-15/h2-8,11,17-18,20H,9-10H2,1H3.
What are the key properties of 2-[(2-methylquinolin-6-yl)methylamino]-1-thiophen-3-ylethanol?
2-[(2-methylquinolin-6-yl)methylamino]-1-thiophen-3-ylethanol has a molecular weight of 298.41 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylquinolin-6-yl)methylamino]-1-thiophen-3-ylethanol is sourced from PubChem (CID 102609668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).