[1-[2-[(7-chloroquinolin-4-yl)amino]ethyl]triazol-4-yl]methanol

C14H14ClN5O — CID 53375663

IUPAC[1-[2-[(7-chloroquinolin-4-yl)amino]ethyl]triazol-4-yl]methanol
SMILESOCc1cn(CCNc2ccnc3cc(Cl)ccc23)nn1
InChIInChI=1S/C14H14ClN5O/c15-10-1-2-12-13(3-4-16-14(12)7-10)17-5-6-20-8-11(9-21)18-19-20/h1-4,7-8,21H,5-6,9H2,(H,16,17)
InChIKeyZLIVKSWBPSHEBX-UHFFFAOYSA-N
MW303.75 g/mol
LogP2.08
Rot. Bonds5

About [1-[2-[(7-chloroquinolin-4-yl)amino]ethyl]triazol-4-yl]methanol

[1-[2-[(7-chloroquinolin-4-yl)amino]ethyl]triazol-4-yl]methanol (PubChem CID 53375663) has the molecular formula C14H14ClN5O and a molecular weight of 303.75 g/mol. Its IUPAC name is [1-[2-[(7-chloroquinolin-4-yl)amino]ethyl]triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[2-[(7-chloroquinolin-4-yl)amino]ethyl]triazol-4-yl]methanol
PubChem CID53375663
Molecular FormulaC14H14ClN5O
Molecular Weight303.75 g/mol
Exact Mass303.09
IUPAC Name[1-[2-[(7-chloroquinolin-4-yl)amino]ethyl]triazol-4-yl]methanol
SMILESOCc1cn(CCNc2ccnc3cc(Cl)ccc23)nn1
InChIInChI=1S/C14H14ClN5O/c15-10-1-2-12-13(3-4-16-14(12)7-10)17-5-6-20-8-11(9-21)18-19-20/h1-4,7-8,21H,5-6,9H2,(H,16,17)
InChIKeyZLIVKSWBPSHEBX-UHFFFAOYSA-N
XLogP2.08
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[2-[(7-chloroquinolin-4-yl)amino]ethyl]triazol-4-yl]methanol?
The IUPAC name of [1-[2-[(7-chloroquinolin-4-yl)amino]ethyl]triazol-4-yl]methanol (CID 53375663) is [1-[2-[(7-chloroquinolin-4-yl)amino]ethyl]triazol-4-yl]methanol.
What is the SMILES notation for [1-[2-[(7-chloroquinolin-4-yl)amino]ethyl]triazol-4-yl]methanol?
The canonical SMILES for [1-[2-[(7-chloroquinolin-4-yl)amino]ethyl]triazol-4-yl]methanol is OCc1cn(CCNc2ccnc3cc(Cl)ccc23)nn1.
What is the InChIKey of [1-[2-[(7-chloroquinolin-4-yl)amino]ethyl]triazol-4-yl]methanol?
The InChIKey is ZLIVKSWBPSHEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN5O/c15-10-1-2-12-13(3-4-16-14(12)7-10)17-5-6-20-8-11(9-21)18-19-20/h1-4,7-8,21H,5-6,9H2,(H,16,17).
What are the key properties of [1-[2-[(7-chloroquinolin-4-yl)amino]ethyl]triazol-4-yl]methanol?
[1-[2-[(7-chloroquinolin-4-yl)amino]ethyl]triazol-4-yl]methanol has a molecular weight of 303.75 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[(7-chloroquinolin-4-yl)amino]ethyl]triazol-4-yl]methanol is sourced from PubChem (CID 53375663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).