2-(5-chloroquinolin-8-yl)oxy-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide

C21H18ClN5O2 — CID 55769192

IUPAC2-(5-chloroquinolin-8-yl)oxy-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide
SMILESO=C(COc1ccc(Cl)c2cccnc12)NCc1ccccc1Cn1cncn1
InChIInChI=1S/C21H18ClN5O2/c22-18-7-8-19(21-17(18)6-3-9-24-21)29-12-20(28)25-10-15-4-1-2-5-16(15)11-27-14-23-13-26-27/h1-9,13-14H,10-12H2,(H,25,28)
InChIKeyQTUNYGSBXCWKFQ-UHFFFAOYSA-N
MW407.86 g/mol
LogP3.22
Rot. Bonds7

About 2-(5-chloroquinolin-8-yl)oxy-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide

2-(5-chloroquinolin-8-yl)oxy-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide (PubChem CID 55769192) has the molecular formula C21H18ClN5O2 and a molecular weight of 407.86 g/mol. Its IUPAC name is 2-(5-chloroquinolin-8-yl)oxy-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(5-chloroquinolin-8-yl)oxy-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide
PubChem CID55769192
Molecular FormulaC21H18ClN5O2
Molecular Weight407.86 g/mol
Exact Mass407.11
IUPAC Name2-(5-chloroquinolin-8-yl)oxy-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide
SMILESO=C(COc1ccc(Cl)c2cccnc12)NCc1ccccc1Cn1cncn1
InChIInChI=1S/C21H18ClN5O2/c22-18-7-8-19(21-17(18)6-3-9-24-21)29-12-20(28)25-10-15-4-1-2-5-16(15)11-27-14-23-13-26-27/h1-9,13-14H,10-12H2,(H,25,28)
InChIKeyQTUNYGSBXCWKFQ-UHFFFAOYSA-N
XLogP3.22
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.86
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(5-chloroquinolin-8-yl)oxy-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide with MolForge

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Related Compounds

2-(5-chloroquinolin-8-yl)oxy-N-[2-(2-methylphenyl)ethyl]acetamide
CID 9330887
2-(5-chloroquinolin-8-yl)oxy-N-[2-(ethylamino)ethyl]acetamide
CID 119505408
N'-[2-(5-chloroquinolin-8-yl)oxyacetyl]benzohydrazide
CID 55602763
2-(6-bromonaphthalen-2-yl)oxy-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide
CID 55852862
2-(5-chloroquinolin-8-yl)oxy-N-[3-(methylamino)propyl]acetamide;dihydrochloride
CID 119430250
2-(5-chloroquinolin-8-yl)oxy-N-[2-(ethylamino)ethyl]acetamide;dihydrochloride
CID 119505407
2-(5-chloroquinolin-8-yl)oxy-N-(3-ethoxypropyl)acetamide
CID 51172402
methyl 2-(5-chloroquinolin-8-yl)oxyacetate
CID 15257198
2-(3,4-dichlorophenoxy)-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide
CID 55867604
2-(2,4-difluorophenoxy)-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide
CID 55751613
2-(cyclopropylmethylamino)-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide
CID 119846776
2-(3,4-dichlorophenoxy)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 55525747

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloroquinolin-8-yl)oxy-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(5-chloroquinolin-8-yl)oxy-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide (CID 55769192) is 2-(5-chloroquinolin-8-yl)oxy-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(5-chloroquinolin-8-yl)oxy-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(5-chloroquinolin-8-yl)oxy-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide is O=C(COc1ccc(Cl)c2cccnc12)NCc1ccccc1Cn1cncn1.
What is the InChIKey of 2-(5-chloroquinolin-8-yl)oxy-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide?
The InChIKey is QTUNYGSBXCWKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN5O2/c22-18-7-8-19(21-17(18)6-3-9-24-21)29-12-20(28)25-10-15-4-1-2-5-16(15)11-27-14-23-13-26-27/h1-9,13-14H,10-12H2,(H,25,28).
What are the key properties of 2-(5-chloroquinolin-8-yl)oxy-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide?
2-(5-chloroquinolin-8-yl)oxy-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide has a molecular weight of 407.86 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloroquinolin-8-yl)oxy-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 55769192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).