2-[(6-bromo-7-fluoroquinolin-2-yl)-(thiophen-3-ylmethyl)amino]ethanol

C16H14BrFN2OS — CID 133403416

IUPAC2-[(6-bromo-7-fluoroquinolin-2-yl)-(thiophen-3-ylmethyl)amino]ethanol
SMILESOCCN(Cc1ccsc1)c1ccc2cc(Br)c(F)cc2n1
InChIInChI=1S/C16H14BrFN2OS/c17-13-7-12-1-2-16(19-15(12)8-14(13)18)20(4-5-21)9-11-3-6-22-10-11/h1-3,6-8,10,21H,4-5,9H2
InChIKeySJFUBFVHPVZKBK-UHFFFAOYSA-N
MW381.27 g/mol
LogP4.20
Rot. Bonds5

About 2-[(6-bromo-7-fluoroquinolin-2-yl)-(thiophen-3-ylmethyl)amino]ethanol

2-[(6-bromo-7-fluoroquinolin-2-yl)-(thiophen-3-ylmethyl)amino]ethanol (PubChem CID 133403416) has the molecular formula C16H14BrFN2OS and a molecular weight of 381.27 g/mol. Its IUPAC name is 2-[(6-bromo-7-fluoroquinolin-2-yl)-(thiophen-3-ylmethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(6-bromo-7-fluoroquinolin-2-yl)-(thiophen-3-ylmethyl)amino]ethanol
PubChem CID133403416
Molecular FormulaC16H14BrFN2OS
Molecular Weight381.27 g/mol
Exact Mass380.00
IUPAC Name2-[(6-bromo-7-fluoroquinolin-2-yl)-(thiophen-3-ylmethyl)amino]ethanol
SMILESOCCN(Cc1ccsc1)c1ccc2cc(Br)c(F)cc2n1
InChIInChI=1S/C16H14BrFN2OS/c17-13-7-12-1-2-16(19-15(12)8-14(13)18)20(4-5-21)9-11-3-6-22-10-11/h1-3,6-8,10,21H,4-5,9H2
InChIKeySJFUBFVHPVZKBK-UHFFFAOYSA-N
XLogP4.20
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.27
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-bromo-7-fluoroquinolin-2-yl)-(thiophen-3-ylmethyl)amino]ethanol?
The IUPAC name of 2-[(6-bromo-7-fluoroquinolin-2-yl)-(thiophen-3-ylmethyl)amino]ethanol (CID 133403416) is 2-[(6-bromo-7-fluoroquinolin-2-yl)-(thiophen-3-ylmethyl)amino]ethanol.
What is the SMILES notation for 2-[(6-bromo-7-fluoroquinolin-2-yl)-(thiophen-3-ylmethyl)amino]ethanol?
The canonical SMILES for 2-[(6-bromo-7-fluoroquinolin-2-yl)-(thiophen-3-ylmethyl)amino]ethanol is OCCN(Cc1ccsc1)c1ccc2cc(Br)c(F)cc2n1.
What is the InChIKey of 2-[(6-bromo-7-fluoroquinolin-2-yl)-(thiophen-3-ylmethyl)amino]ethanol?
The InChIKey is SJFUBFVHPVZKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrFN2OS/c17-13-7-12-1-2-16(19-15(12)8-14(13)18)20(4-5-21)9-11-3-6-22-10-11/h1-3,6-8,10,21H,4-5,9H2.
What are the key properties of 2-[(6-bromo-7-fluoroquinolin-2-yl)-(thiophen-3-ylmethyl)amino]ethanol?
2-[(6-bromo-7-fluoroquinolin-2-yl)-(thiophen-3-ylmethyl)amino]ethanol has a molecular weight of 381.27 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-bromo-7-fluoroquinolin-2-yl)-(thiophen-3-ylmethyl)amino]ethanol is sourced from PubChem (CID 133403416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).