2-(4-fluorophenyl)-N-(4-quinolin-8-yloxybut-2-ynyl)acetamide

C21H17FN2O2 — CID 90579752

IUPAC2-(4-fluorophenyl)-N-(4-quinolin-8-yloxybut-2-ynyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)NCC#CCOc1cccc2cccnc12
InChIInChI=1S/C21H17FN2O2/c22-18-10-8-16(9-11-18)15-20(25)23-12-1-2-14-26-19-7-3-5-17-6-4-13-24-21(17)19/h3-11,13H,12,14-15H2,(H,23,25)
InChIKeyRYCCCBHJAFIOBR-UHFFFAOYSA-N
MW348.38 g/mol
LogP3.12
Rot. Bonds5

About 2-(4-fluorophenyl)-N-(4-quinolin-8-yloxybut-2-ynyl)acetamide

2-(4-fluorophenyl)-N-(4-quinolin-8-yloxybut-2-ynyl)acetamide (PubChem CID 90579752) has the molecular formula C21H17FN2O2 and a molecular weight of 348.38 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-(4-quinolin-8-yloxybut-2-ynyl)acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-(4-quinolin-8-yloxybut-2-ynyl)acetamide
PubChem CID90579752
Molecular FormulaC21H17FN2O2
Molecular Weight348.38 g/mol
Exact Mass348.13
IUPAC Name2-(4-fluorophenyl)-N-(4-quinolin-8-yloxybut-2-ynyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)NCC#CCOc1cccc2cccnc12
InChIInChI=1S/C21H17FN2O2/c22-18-10-8-16(9-11-18)15-20(25)23-12-1-2-14-26-19-7-3-5-17-6-4-13-24-21(17)19/h3-11,13H,12,14-15H2,(H,23,25)
InChIKeyRYCCCBHJAFIOBR-UHFFFAOYSA-N
XLogP3.12
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-quinolin-8-yloxybut-2-ynyl)pentanamide
CID 90579647
4-phenyl-N-(4-quinolin-8-yloxybut-2-ynyl)butanamide
CID 90579761
2-chloro-N-(4-quinolin-8-yloxybut-2-ynyl)benzamide
CID 90579697
1-[(4-methoxyphenyl)methyl]-3-(4-quinolin-8-yloxybut-2-ynyl)urea
CID 90579893
N-(4-quinolin-8-yloxybut-2-ynyl)-3,5-bis(trifluoromethyl)benzamide
CID 90579722
1-(4-quinolin-8-yloxybut-2-ynyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 90579896
3,4,5-trimethoxy-N-(4-quinolin-8-yloxybut-2-ynyl)benzamide
CID 90579692
2-indol-1-yl-N-(4-quinolin-8-yloxybut-2-ynyl)acetamide
CID 90579587
2-fluoro-N-(4-quinolin-8-yloxybut-2-ynyl)benzenesulfonamide
CID 90579949
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-quinolin-8-yloxybut-2-ynyl)acetamide
CID 90579593
N-(4-quinolin-8-yloxybut-2-ynyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 90579988
N-(4-quinolin-8-yloxybut-2-ynyl)-9H-xanthene-9-carboxamide
CID 90579776

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-(4-quinolin-8-yloxybut-2-ynyl)acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-(4-quinolin-8-yloxybut-2-ynyl)acetamide (CID 90579752) is 2-(4-fluorophenyl)-N-(4-quinolin-8-yloxybut-2-ynyl)acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-(4-quinolin-8-yloxybut-2-ynyl)acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-(4-quinolin-8-yloxybut-2-ynyl)acetamide is O=C(Cc1ccc(F)cc1)NCC#CCOc1cccc2cccnc12.
What is the InChIKey of 2-(4-fluorophenyl)-N-(4-quinolin-8-yloxybut-2-ynyl)acetamide?
The InChIKey is RYCCCBHJAFIOBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O2/c22-18-10-8-16(9-11-18)15-20(25)23-12-1-2-14-26-19-7-3-5-17-6-4-13-24-21(17)19/h3-11,13H,12,14-15H2,(H,23,25).
What are the key properties of 2-(4-fluorophenyl)-N-(4-quinolin-8-yloxybut-2-ynyl)acetamide?
2-(4-fluorophenyl)-N-(4-quinolin-8-yloxybut-2-ynyl)acetamide has a molecular weight of 348.38 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-(4-quinolin-8-yloxybut-2-ynyl)acetamide is sourced from PubChem (CID 90579752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).