2-(4-ethoxyphenoxy)-N-(4-quinolin-7-yloxybut-2-ynyl)acetamide

C23H22N2O4 — CID 90580148

IUPAC2-(4-ethoxyphenoxy)-N-(4-quinolin-7-yloxybut-2-ynyl)acetamide
SMILESCCOc1ccc(OCC(=O)NCC#CCOc2ccc3cccnc3c2)cc1
InChIInChI=1S/C23H22N2O4/c1-2-27-19-9-11-20(12-10-19)29-17-23(26)25-13-3-4-15-28-21-8-7-18-6-5-14-24-22(18)16-21/h5-12,14,16H,2,13,15,17H2,1H3,(H,25,26)
InChIKeyNKZXUWLFXGHGMN-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.21
Rot. Bonds8

About 2-(4-ethoxyphenoxy)-N-(4-quinolin-7-yloxybut-2-ynyl)acetamide

2-(4-ethoxyphenoxy)-N-(4-quinolin-7-yloxybut-2-ynyl)acetamide (PubChem CID 90580148) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is 2-(4-ethoxyphenoxy)-N-(4-quinolin-7-yloxybut-2-ynyl)acetamide.

Molecular Properties

Compound Name2-(4-ethoxyphenoxy)-N-(4-quinolin-7-yloxybut-2-ynyl)acetamide
PubChem CID90580148
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC Name2-(4-ethoxyphenoxy)-N-(4-quinolin-7-yloxybut-2-ynyl)acetamide
SMILESCCOc1ccc(OCC(=O)NCC#CCOc2ccc3cccnc3c2)cc1
InChIInChI=1S/C23H22N2O4/c1-2-27-19-9-11-20(12-10-19)29-17-23(26)25-13-3-4-15-28-21-8-7-18-6-5-14-24-22(18)16-21/h5-12,14,16H,2,13,15,17H2,1H3,(H,25,26)
InChIKeyNKZXUWLFXGHGMN-UHFFFAOYSA-N
XLogP3.21
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-(4-quinolin-7-yloxybut-2-ynyl)propanamide
CID 90580076
1-ethyl-3-(4-quinolin-7-yloxybut-2-ynyl)urea
CID 90580309
1-(2-ethoxyphenyl)-3-(4-quinolin-7-yloxybut-2-ynyl)urea
CID 90580295
N-[4-(3-bromophenoxy)but-2-ynyl]-2-(4-ethoxyphenoxy)acetamide
CID 90576513
3-bromo-N-(4-quinolin-7-yloxybut-2-ynyl)benzamide
CID 90580109
3-(benzenesulfonyl)-N-(4-quinolin-7-yloxybut-2-ynyl)propanamide
CID 90580234
4-(4-chlorophenyl)-4-oxo-N-(4-quinolin-7-yloxybut-2-ynyl)butanamide
CID 90580032
2-chloro-N-(4-quinolin-7-yloxybut-2-ynyl)benzamide
CID 90580105
4-tert-butyl-N-(4-quinolin-7-yloxybut-2-ynyl)benzamide
CID 90580086
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-quinolin-7-yloxybut-2-ynyl)acetamide
CID 90580001
2-quinolin-7-yloxyacetohydrazide
CID 107315402
N-(4-quinolin-7-yloxybut-2-ynyl)-1,3-benzothiazole-6-carboxamide
CID 90580027

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenoxy)-N-(4-quinolin-7-yloxybut-2-ynyl)acetamide?
The IUPAC name of 2-(4-ethoxyphenoxy)-N-(4-quinolin-7-yloxybut-2-ynyl)acetamide (CID 90580148) is 2-(4-ethoxyphenoxy)-N-(4-quinolin-7-yloxybut-2-ynyl)acetamide.
What is the SMILES notation for 2-(4-ethoxyphenoxy)-N-(4-quinolin-7-yloxybut-2-ynyl)acetamide?
The canonical SMILES for 2-(4-ethoxyphenoxy)-N-(4-quinolin-7-yloxybut-2-ynyl)acetamide is CCOc1ccc(OCC(=O)NCC#CCOc2ccc3cccnc3c2)cc1.
What is the InChIKey of 2-(4-ethoxyphenoxy)-N-(4-quinolin-7-yloxybut-2-ynyl)acetamide?
The InChIKey is NKZXUWLFXGHGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4/c1-2-27-19-9-11-20(12-10-19)29-17-23(26)25-13-3-4-15-28-21-8-7-18-6-5-14-24-22(18)16-21/h5-12,14,16H,2,13,15,17H2,1H3,(H,25,26).
What are the key properties of 2-(4-ethoxyphenoxy)-N-(4-quinolin-7-yloxybut-2-ynyl)acetamide?
2-(4-ethoxyphenoxy)-N-(4-quinolin-7-yloxybut-2-ynyl)acetamide has a molecular weight of 390.44 g/mol, XLogP of 3.21, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenoxy)-N-(4-quinolin-7-yloxybut-2-ynyl)acetamide is sourced from PubChem (CID 90580148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).