2-(2-cyanophenoxy)-N-(quinolin-4-ylmethyl)acetamide

C19H15N3O2 — CID 71979331

IUPAC2-(2-cyanophenoxy)-N-(quinolin-4-ylmethyl)acetamide
SMILESN#Cc1ccccc1OCC(=O)NCc1ccnc2ccccc12
InChIInChI=1S/C19H15N3O2/c20-11-14-5-1-4-8-18(14)24-13-19(23)22-12-15-9-10-21-17-7-3-2-6-16(15)17/h1-10H,12-13H2,(H,22,23)
InChIKeyAOVUUUYFJOQSMU-UHFFFAOYSA-N
MW317.35 g/mol
LogP2.80
Rot. Bonds5

About 2-(2-cyanophenoxy)-N-(quinolin-4-ylmethyl)acetamide

2-(2-cyanophenoxy)-N-(quinolin-4-ylmethyl)acetamide (PubChem CID 71979331) has the molecular formula C19H15N3O2 and a molecular weight of 317.35 g/mol. Its IUPAC name is 2-(2-cyanophenoxy)-N-(quinolin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-cyanophenoxy)-N-(quinolin-4-ylmethyl)acetamide
PubChem CID71979331
Molecular FormulaC19H15N3O2
Molecular Weight317.35 g/mol
Exact Mass317.12
IUPAC Name2-(2-cyanophenoxy)-N-(quinolin-4-ylmethyl)acetamide
SMILESN#Cc1ccccc1OCC(=O)NCc1ccnc2ccccc12
InChIInChI=1S/C19H15N3O2/c20-11-14-5-1-4-8-18(14)24-13-19(23)22-12-15-9-10-21-17-7-3-2-6-16(15)17/h1-10H,12-13H2,(H,22,23)
InChIKeyAOVUUUYFJOQSMU-UHFFFAOYSA-N
XLogP2.80
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-fluorophenoxy)-N-(quinolin-4-ylmethyl)acetamide
CID 71979329
2-(2-methoxyphenoxy)-N-(quinolin-4-ylmethyl)acetamide
CID 71979334
N-[(4-chlorophenyl)methyl]-2-(2-cyanophenoxy)acetamide
CID 2565510
2-(2-cyanophenoxy)-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 47285823
2-(2-cyanophenoxy)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]acetamide
CID 103883525
2-(2-cyanophenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 9142639
N-(2-aminoethyl)-2-(2-cyanophenoxy)acetamide
CID 12841749
2-(2-cyanophenoxy)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 2565300
2-(3-methylphenoxy)-N-(quinolin-4-ylmethyl)acetamide
CID 110734260
2-(2-cyanophenoxy)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 26181302
N-[2-(1,3-benzothiazol-2-yl)propyl]-2-(2-cyanophenoxy)acetamide
CID 86858145
2-(2-cyanophenoxy)-N-(5,5,5-trifluoropentyl)acetamide
CID 115491599

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenoxy)-N-(quinolin-4-ylmethyl)acetamide?
The IUPAC name of 2-(2-cyanophenoxy)-N-(quinolin-4-ylmethyl)acetamide (CID 71979331) is 2-(2-cyanophenoxy)-N-(quinolin-4-ylmethyl)acetamide.
What is the SMILES notation for 2-(2-cyanophenoxy)-N-(quinolin-4-ylmethyl)acetamide?
The canonical SMILES for 2-(2-cyanophenoxy)-N-(quinolin-4-ylmethyl)acetamide is N#Cc1ccccc1OCC(=O)NCc1ccnc2ccccc12.
What is the InChIKey of 2-(2-cyanophenoxy)-N-(quinolin-4-ylmethyl)acetamide?
The InChIKey is AOVUUUYFJOQSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2/c20-11-14-5-1-4-8-18(14)24-13-19(23)22-12-15-9-10-21-17-7-3-2-6-16(15)17/h1-10H,12-13H2,(H,22,23).
What are the key properties of 2-(2-cyanophenoxy)-N-(quinolin-4-ylmethyl)acetamide?
2-(2-cyanophenoxy)-N-(quinolin-4-ylmethyl)acetamide has a molecular weight of 317.35 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenoxy)-N-(quinolin-4-ylmethyl)acetamide is sourced from PubChem (CID 71979331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).