2-[4-(quinolin-6-yliminomethyl)phenoxy]acetamide

C18H15N3O2 — CID 4272774

IUPAC2-[4-(quinolin-6-yliminomethyl)phenoxy]acetamide
SMILESNC(=O)COc1ccc(/C=N/c2ccc3ncccc3c2)cc1
InChIInChI=1S/C18H15N3O2/c19-18(22)12-23-16-6-3-13(4-7-16)11-21-15-5-8-17-14(10-15)2-1-9-20-17/h1-11H,12H2,(H2,19,22)/b21-11+
InChIKeyGWROXPTUDZMLFG-SRZZPIQSSA-N
MW305.34 g/mol
LogP2.85
Rot. Bonds5

About 2-[4-(quinolin-6-yliminomethyl)phenoxy]acetamide

2-[4-(quinolin-6-yliminomethyl)phenoxy]acetamide (PubChem CID 4272774) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is 2-[4-(quinolin-6-yliminomethyl)phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-(quinolin-6-yliminomethyl)phenoxy]acetamide
PubChem CID4272774
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC Name2-[4-(quinolin-6-yliminomethyl)phenoxy]acetamide
SMILESNC(=O)COc1ccc(/C=N/c2ccc3ncccc3c2)cc1
InChIInChI=1S/C18H15N3O2/c19-18(22)12-23-16-6-3-13(4-7-16)11-21-15-5-8-17-14(10-15)2-1-9-20-17/h1-11H,12H2,(H2,19,22)/b21-11+
InChIKeyGWROXPTUDZMLFG-SRZZPIQSSA-N
XLogP2.85
TPSA77.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[4-[(3-fluorophenyl)iminomethyl]phenoxy]acetamide
CID 23732371
2-nitro-4-(quinolin-6-yliminomethyl)phenol
CID 137050517
N-(4-phenylphenyl)-1-quinolin-6-ylmethanimine
CID 2443754
N-dibenzofuran-2-yl-1-quinolin-6-ylmethanimine
CID 2368116
2-[4-[(diaminomethylidenehydrazinylidene)methyl]phenoxy]acetamide
CID 76873988
2-[4-[(E)-(carbamoylhydrazinylidene)methyl]phenoxy]acetamide
CID 6871859
methyl 2-[4-[(4-methoxyphenyl)iminomethyl]phenoxy]acetate
CID 94832083
quinolin-6-yl 2-(diaminomethylideneamino)acetate
CID 174221629
2-[[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]oxyacetic acid
CID 77013169
methyl 3-methyl-2-(quinolin-6-ylmethylideneamino)butanoate
CID 175059701
6-(2H-tetrazol-5-ylmethoxy)quinoline
CID 82081095
N-butan-2-yl-2-quinolin-6-yloxyacetamide
CID 47453985

Frequently Asked Questions

What is the IUPAC name of 2-[4-(quinolin-6-yliminomethyl)phenoxy]acetamide?
The IUPAC name of 2-[4-(quinolin-6-yliminomethyl)phenoxy]acetamide (CID 4272774) is 2-[4-(quinolin-6-yliminomethyl)phenoxy]acetamide.
What is the SMILES notation for 2-[4-(quinolin-6-yliminomethyl)phenoxy]acetamide?
The canonical SMILES for 2-[4-(quinolin-6-yliminomethyl)phenoxy]acetamide is NC(=O)COc1ccc(/C=N/c2ccc3ncccc3c2)cc1.
What is the InChIKey of 2-[4-(quinolin-6-yliminomethyl)phenoxy]acetamide?
The InChIKey is GWROXPTUDZMLFG-SRZZPIQSSA-N. The full InChI is InChI=1S/C18H15N3O2/c19-18(22)12-23-16-6-3-13(4-7-16)11-21-15-5-8-17-14(10-15)2-1-9-20-17/h1-11H,12H2,(H2,19,22)/b21-11+.
What are the key properties of 2-[4-(quinolin-6-yliminomethyl)phenoxy]acetamide?
2-[4-(quinolin-6-yliminomethyl)phenoxy]acetamide has a molecular weight of 305.34 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(quinolin-6-yliminomethyl)phenoxy]acetamide is sourced from PubChem (CID 4272774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).