3-[(6-bromoquinolin-2-yl)-(2-hydroxyethyl)amino]propan-1-ol

C14H17BrN2O2 — CID 133346547

IUPAC3-[(6-bromoquinolin-2-yl)-(2-hydroxyethyl)amino]propan-1-ol
SMILESOCCCN(CCO)c1ccc2cc(Br)ccc2n1
InChIInChI=1S/C14H17BrN2O2/c15-12-3-4-13-11(10-12)2-5-14(16-13)17(7-9-19)6-1-8-18/h2-5,10,18-19H,1,6-9H2
InChIKeyCTRSVGMTWWNMLM-UHFFFAOYSA-N
MW325.21 g/mol
LogP2.18
Rot. Bonds6

About 3-[(6-bromoquinolin-2-yl)-(2-hydroxyethyl)amino]propan-1-ol

3-[(6-bromoquinolin-2-yl)-(2-hydroxyethyl)amino]propan-1-ol (PubChem CID 133346547) has the molecular formula C14H17BrN2O2 and a molecular weight of 325.21 g/mol. Its IUPAC name is 3-[(6-bromoquinolin-2-yl)-(2-hydroxyethyl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[(6-bromoquinolin-2-yl)-(2-hydroxyethyl)amino]propan-1-ol
PubChem CID133346547
Molecular FormulaC14H17BrN2O2
Molecular Weight325.21 g/mol
Exact Mass324.05
IUPAC Name3-[(6-bromoquinolin-2-yl)-(2-hydroxyethyl)amino]propan-1-ol
SMILESOCCCN(CCO)c1ccc2cc(Br)ccc2n1
InChIInChI=1S/C14H17BrN2O2/c15-12-3-4-13-11(10-12)2-5-14(16-13)17(7-9-19)6-1-8-18/h2-5,10,18-19H,1,6-9H2
InChIKeyCTRSVGMTWWNMLM-UHFFFAOYSA-N
XLogP2.18
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-bromoquinolin-2-yl)-(2-hydroxyethyl)amino]propan-1-ol?
The IUPAC name of 3-[(6-bromoquinolin-2-yl)-(2-hydroxyethyl)amino]propan-1-ol (CID 133346547) is 3-[(6-bromoquinolin-2-yl)-(2-hydroxyethyl)amino]propan-1-ol.
What is the SMILES notation for 3-[(6-bromoquinolin-2-yl)-(2-hydroxyethyl)amino]propan-1-ol?
The canonical SMILES for 3-[(6-bromoquinolin-2-yl)-(2-hydroxyethyl)amino]propan-1-ol is OCCCN(CCO)c1ccc2cc(Br)ccc2n1.
What is the InChIKey of 3-[(6-bromoquinolin-2-yl)-(2-hydroxyethyl)amino]propan-1-ol?
The InChIKey is CTRSVGMTWWNMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O2/c15-12-3-4-13-11(10-12)2-5-14(16-13)17(7-9-19)6-1-8-18/h2-5,10,18-19H,1,6-9H2.
What are the key properties of 3-[(6-bromoquinolin-2-yl)-(2-hydroxyethyl)amino]propan-1-ol?
3-[(6-bromoquinolin-2-yl)-(2-hydroxyethyl)amino]propan-1-ol has a molecular weight of 325.21 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-bromoquinolin-2-yl)-(2-hydroxyethyl)amino]propan-1-ol is sourced from PubChem (CID 133346547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).