2-(4-fluorophenyl)-N-quinolin-8-ylacetamide

C17H13FN2O — CID 836402

IUPAC2-(4-fluorophenyl)-N-quinolin-8-ylacetamide
SMILESO=C(Cc1ccc(F)cc1)Nc1cccc2cccnc12
InChIInChI=1S/C17H13FN2O/c18-14-8-6-12(7-9-14)11-16(21)20-15-5-1-3-13-4-2-10-19-17(13)15/h1-10H,11H2,(H,20,21)
InChIKeyASHJDNWSYVAWSL-UHFFFAOYSA-N
MW280.30 g/mol
LogP3.56
Rot. Bonds3

About 2-(4-fluorophenyl)-N-quinolin-8-ylacetamide

2-(4-fluorophenyl)-N-quinolin-8-ylacetamide (PubChem CID 836402) has the molecular formula C17H13FN2O and a molecular weight of 280.30 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-quinolin-8-ylacetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-quinolin-8-ylacetamide
PubChem CID836402
Molecular FormulaC17H13FN2O
Molecular Weight280.30 g/mol
Exact Mass280.10
IUPAC Name2-(4-fluorophenyl)-N-quinolin-8-ylacetamide
SMILESO=C(Cc1ccc(F)cc1)Nc1cccc2cccnc12
InChIInChI=1S/C17H13FN2O/c18-14-8-6-12(7-9-14)11-16(21)20-15-5-1-3-13-4-2-10-19-17(13)15/h1-10H,11H2,(H,20,21)
InChIKeyASHJDNWSYVAWSL-UHFFFAOYSA-N
XLogP3.56
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-quinolin-8-ylacetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-quinolin-8-ylacetamide (CID 836402) is 2-(4-fluorophenyl)-N-quinolin-8-ylacetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-quinolin-8-ylacetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-quinolin-8-ylacetamide is O=C(Cc1ccc(F)cc1)Nc1cccc2cccnc12.
What is the InChIKey of 2-(4-fluorophenyl)-N-quinolin-8-ylacetamide?
The InChIKey is ASHJDNWSYVAWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O/c18-14-8-6-12(7-9-14)11-16(21)20-15-5-1-3-13-4-2-10-19-17(13)15/h1-10H,11H2,(H,20,21).
What are the key properties of 2-(4-fluorophenyl)-N-quinolin-8-ylacetamide?
2-(4-fluorophenyl)-N-quinolin-8-ylacetamide has a molecular weight of 280.30 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-quinolin-8-ylacetamide is sourced from PubChem (CID 836402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).