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

C19H22ClN5O — CID 53375665

IUPAC1-[1-[2-[(7-chloroquinolin-4-yl)amino]ethyl]triazol-4-yl]cyclohexan-1-ol
SMILESOC1(c2cn(CCNc3ccnc4cc(Cl)ccc34)nn2)CCCCC1
InChIInChI=1S/C19H22ClN5O/c20-14-4-5-15-16(6-9-21-17(15)12-14)22-10-11-25-13-18(23-24-25)19(26)7-2-1-3-8-19/h4-6,9,12-13,26H,1-3,7-8,10-11H2,(H,21,22)
InChIKeyOIHIZQOVNFKNOQ-UHFFFAOYSA-N
MW371.87 g/mol
LogP3.74
Rot. Bonds5

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

1-[1-[2-[(7-chloroquinolin-4-yl)amino]ethyl]triazol-4-yl]cyclohexan-1-ol (PubChem CID 53375665) has the molecular formula C19H22ClN5O and a molecular weight of 371.87 g/mol. Its IUPAC name is 1-[1-[2-[(7-chloroquinolin-4-yl)amino]ethyl]triazol-4-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[1-[2-[(7-chloroquinolin-4-yl)amino]ethyl]triazol-4-yl]cyclohexan-1-ol
PubChem CID53375665
Molecular FormulaC19H22ClN5O
Molecular Weight371.87 g/mol
Exact Mass371.15
IUPAC Name1-[1-[2-[(7-chloroquinolin-4-yl)amino]ethyl]triazol-4-yl]cyclohexan-1-ol
SMILESOC1(c2cn(CCNc3ccnc4cc(Cl)ccc34)nn2)CCCCC1
InChIInChI=1S/C19H22ClN5O/c20-14-4-5-15-16(6-9-21-17(15)12-14)22-10-11-25-13-18(23-24-25)19(26)7-2-1-3-8-19/h4-6,9,12-13,26H,1-3,7-8,10-11H2,(H,21,22)
InChIKeyOIHIZQOVNFKNOQ-UHFFFAOYSA-N
XLogP3.74
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-[(7-chloroquinolin-4-yl)amino]ethyl]triazol-4-yl]cyclohexan-1-ol?
The IUPAC name of 1-[1-[2-[(7-chloroquinolin-4-yl)amino]ethyl]triazol-4-yl]cyclohexan-1-ol (CID 53375665) is 1-[1-[2-[(7-chloroquinolin-4-yl)amino]ethyl]triazol-4-yl]cyclohexan-1-ol.
What is the SMILES notation for 1-[1-[2-[(7-chloroquinolin-4-yl)amino]ethyl]triazol-4-yl]cyclohexan-1-ol?
The canonical SMILES for 1-[1-[2-[(7-chloroquinolin-4-yl)amino]ethyl]triazol-4-yl]cyclohexan-1-ol is OC1(c2cn(CCNc3ccnc4cc(Cl)ccc34)nn2)CCCCC1.
What is the InChIKey of 1-[1-[2-[(7-chloroquinolin-4-yl)amino]ethyl]triazol-4-yl]cyclohexan-1-ol?
The InChIKey is OIHIZQOVNFKNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN5O/c20-14-4-5-15-16(6-9-21-17(15)12-14)22-10-11-25-13-18(23-24-25)19(26)7-2-1-3-8-19/h4-6,9,12-13,26H,1-3,7-8,10-11H2,(H,21,22).
What are the key properties of 1-[1-[2-[(7-chloroquinolin-4-yl)amino]ethyl]triazol-4-yl]cyclohexan-1-ol?
1-[1-[2-[(7-chloroquinolin-4-yl)amino]ethyl]triazol-4-yl]cyclohexan-1-ol has a molecular weight of 371.87 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-[(7-chloroquinolin-4-yl)amino]ethyl]triazol-4-yl]cyclohexan-1-ol is sourced from PubChem (CID 53375665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).