1-[1-(5-chloroquinolin-8-yl)triazol-4-yl]ethanol

C13H11ClN4O — CID 116785483

IUPAC1-[1-(5-chloroquinolin-8-yl)triazol-4-yl]ethanol
SMILESCC(O)c1cn(-c2ccc(Cl)c3cccnc23)nn1
InChIInChI=1S/C13H11ClN4O/c1-8(19)11-7-18(17-16-11)12-5-4-10(14)9-3-2-6-15-13(9)12/h2-8,19H,1H3
InChIKeyMCGXRBTVBIDKEP-UHFFFAOYSA-N
MW274.71 g/mol
LogP2.52
Rot. Bonds2

About 1-[1-(5-chloroquinolin-8-yl)triazol-4-yl]ethanol

1-[1-(5-chloroquinolin-8-yl)triazol-4-yl]ethanol (PubChem CID 116785483) has the molecular formula C13H11ClN4O and a molecular weight of 274.71 g/mol. Its IUPAC name is 1-[1-(5-chloroquinolin-8-yl)triazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-(5-chloroquinolin-8-yl)triazol-4-yl]ethanol
PubChem CID116785483
Molecular FormulaC13H11ClN4O
Molecular Weight274.71 g/mol
Exact Mass274.06
IUPAC Name1-[1-(5-chloroquinolin-8-yl)triazol-4-yl]ethanol
SMILESCC(O)c1cn(-c2ccc(Cl)c3cccnc23)nn1
InChIInChI=1S/C13H11ClN4O/c1-8(19)11-7-18(17-16-11)12-5-4-10(14)9-3-2-6-15-13(9)12/h2-8,19H,1H3
InChIKeyMCGXRBTVBIDKEP-UHFFFAOYSA-N
XLogP2.52
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.71
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[1-(5-chloroquinolin-8-yl)triazol-4-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[1-(5-chloroquinolin-8-yl)triazol-4-yl]methyl]ethanamine
CID 116785439
5-[4-(1-chloroethyl)triazol-1-yl]quinoline
CID 81444704
1-[1-(2-bromo-3-chlorophenyl)triazol-4-yl]ethanol
CID 103481494
1-(1-naphthalen-1-yltriazol-4-yl)ethanol
CID 81445099
5-chloro-8-(3-chloro-5-propan-2-yl-1,2,4-triazol-4-yl)quinoline
CID 116785571
(E)-4-(5-chloroquinolin-8-yl)-3-methylbut-3-en-2-ol
CID 103091147
1-(1-quinolin-6-yltriazol-4-yl)ethanol
CID 81444375
CID 172791001
CID 172791001
5-chloro-8-(3-chloro-1,2,4-triazol-4-yl)quinoline
CID 116785568
5-chloro-8-(4-pyridin-3-ylpyrazol-1-yl)quinoline
CID 177329473
1-[1-(4-chloro-2-nitrophenyl)triazol-4-yl]ethanol
CID 81444368
potassium;5-chloroquinolin-8-ol;hydride
CID 174478922

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-chloroquinolin-8-yl)triazol-4-yl]ethanol?
The IUPAC name of 1-[1-(5-chloroquinolin-8-yl)triazol-4-yl]ethanol (CID 116785483) is 1-[1-(5-chloroquinolin-8-yl)triazol-4-yl]ethanol.
What is the SMILES notation for 1-[1-(5-chloroquinolin-8-yl)triazol-4-yl]ethanol?
The canonical SMILES for 1-[1-(5-chloroquinolin-8-yl)triazol-4-yl]ethanol is CC(O)c1cn(-c2ccc(Cl)c3cccnc23)nn1.
What is the InChIKey of 1-[1-(5-chloroquinolin-8-yl)triazol-4-yl]ethanol?
The InChIKey is MCGXRBTVBIDKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4O/c1-8(19)11-7-18(17-16-11)12-5-4-10(14)9-3-2-6-15-13(9)12/h2-8,19H,1H3.
What are the key properties of 1-[1-(5-chloroquinolin-8-yl)triazol-4-yl]ethanol?
1-[1-(5-chloroquinolin-8-yl)triazol-4-yl]ethanol has a molecular weight of 274.71 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-chloroquinolin-8-yl)triazol-4-yl]ethanol is sourced from PubChem (CID 116785483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).