2-naphthalen-2-yloxy-N-(5-quinolin-2-yl-1H-1,2,4-triazol-3-yl)acetamide

C23H17N5O2 — CID 167880699

IUPAC2-naphthalen-2-yloxy-N-(5-quinolin-2-yl-1H-1,2,4-triazol-3-yl)acetamide
SMILESO=C(COc1ccc2ccccc2c1)Nc1n[nH]c(-c2ccc3ccccc3n2)n1
InChIInChI=1S/C23H17N5O2/c29-21(14-30-18-11-9-15-5-1-2-7-17(15)13-18)25-23-26-22(27-28-23)20-12-10-16-6-3-4-8-19(16)24-20/h1-13H,14H2,(H2,25,26,27,28,29)
InChIKeyITWJQLBXPXTGDH-UHFFFAOYSA-N
MW395.42 g/mol
LogP4.19
Rot. Bonds5

About 2-naphthalen-2-yloxy-N-(5-quinolin-2-yl-1H-1,2,4-triazol-3-yl)acetamide

2-naphthalen-2-yloxy-N-(5-quinolin-2-yl-1H-1,2,4-triazol-3-yl)acetamide (PubChem CID 167880699) has the molecular formula C23H17N5O2 and a molecular weight of 395.42 g/mol. Its IUPAC name is 2-naphthalen-2-yloxy-N-(5-quinolin-2-yl-1H-1,2,4-triazol-3-yl)acetamide.

Molecular Properties

Compound Name2-naphthalen-2-yloxy-N-(5-quinolin-2-yl-1H-1,2,4-triazol-3-yl)acetamide
PubChem CID167880699
Molecular FormulaC23H17N5O2
Molecular Weight395.42 g/mol
Exact Mass395.14
IUPAC Name2-naphthalen-2-yloxy-N-(5-quinolin-2-yl-1H-1,2,4-triazol-3-yl)acetamide
SMILESO=C(COc1ccc2ccccc2c1)Nc1n[nH]c(-c2ccc3ccccc3n2)n1
InChIInChI=1S/C23H17N5O2/c29-21(14-30-18-11-9-15-5-1-2-7-17(15)13-18)25-23-26-22(27-28-23)20-12-10-16-6-3-4-8-19(16)24-20/h1-13H,14H2,(H2,25,26,27,28,29)
InChIKeyITWJQLBXPXTGDH-UHFFFAOYSA-N
XLogP4.19
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]-2-naphthalen-2-yloxyacetamide
CID 9247104
N-naphthalen-2-yl-2-naphthalen-2-yloxyacetamide
CID 879369
N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]-2-phenoxyacetamide
CID 9246778
5-phenyl-N-(5-quinolin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-3-carboxamide
CID 166211564
2-naphthalen-2-yloxy-N-pyridin-4-ylacetamide
CID 823638
2-naphthalen-2-yloxy-N-(2,4,6-trimethyl-3-pyridinyl)acetamide
CID 78838178
N-[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]-2-(3-fluorophenoxy)acetamide
CID 9245931
N-(2-methylsulfanylphenyl)-2-naphthalen-2-yloxyacetamide
CID 4805358
N-[5-(3-bromophenyl)-1H-1,2,4-triazol-3-yl]-2-(4-methoxyphenoxy)acetamide
CID 9247041
N-(2-aminophenyl)-2-naphthalen-2-yloxyacetamide
CID 16792527
N-[4-(carbamoylamino)phenyl]-2-naphthalen-2-yloxyacetamide
CID 33152788
N-(2,5-difluorophenyl)-2-naphthalen-2-yloxyacetamide
CID 7958914

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yloxy-N-(5-quinolin-2-yl-1H-1,2,4-triazol-3-yl)acetamide?
The IUPAC name of 2-naphthalen-2-yloxy-N-(5-quinolin-2-yl-1H-1,2,4-triazol-3-yl)acetamide (CID 167880699) is 2-naphthalen-2-yloxy-N-(5-quinolin-2-yl-1H-1,2,4-triazol-3-yl)acetamide.
What is the SMILES notation for 2-naphthalen-2-yloxy-N-(5-quinolin-2-yl-1H-1,2,4-triazol-3-yl)acetamide?
The canonical SMILES for 2-naphthalen-2-yloxy-N-(5-quinolin-2-yl-1H-1,2,4-triazol-3-yl)acetamide is O=C(COc1ccc2ccccc2c1)Nc1n[nH]c(-c2ccc3ccccc3n2)n1.
What is the InChIKey of 2-naphthalen-2-yloxy-N-(5-quinolin-2-yl-1H-1,2,4-triazol-3-yl)acetamide?
The InChIKey is ITWJQLBXPXTGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N5O2/c29-21(14-30-18-11-9-15-5-1-2-7-17(15)13-18)25-23-26-22(27-28-23)20-12-10-16-6-3-4-8-19(16)24-20/h1-13H,14H2,(H2,25,26,27,28,29).
What are the key properties of 2-naphthalen-2-yloxy-N-(5-quinolin-2-yl-1H-1,2,4-triazol-3-yl)acetamide?
2-naphthalen-2-yloxy-N-(5-quinolin-2-yl-1H-1,2,4-triazol-3-yl)acetamide has a molecular weight of 395.42 g/mol, XLogP of 4.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yloxy-N-(5-quinolin-2-yl-1H-1,2,4-triazol-3-yl)acetamide is sourced from PubChem (CID 167880699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).