2-[acetyl(quinolin-8-yl)amino]-N-[2-(2-fluorophenyl)ethyl]acetamide

C21H20FN3O2 — CID 113178673

IUPAC2-[acetyl(quinolin-8-yl)amino]-N-[2-(2-fluorophenyl)ethyl]acetamide
SMILESCC(=O)N(CC(=O)NCCc1ccccc1F)c1cccc2cccnc12
InChIInChI=1S/C21H20FN3O2/c1-15(26)25(19-10-4-7-17-8-5-12-24-21(17)19)14-20(27)23-13-11-16-6-2-3-9-18(16)22/h2-10,12H,11,13-14H2,1H3,(H,23,27)
InChIKeyYRDJHSZHJJVLQP-UHFFFAOYSA-N
MW365.41 g/mol
LogP3.09
Rot. Bonds6

About 2-[acetyl(quinolin-8-yl)amino]-N-[2-(2-fluorophenyl)ethyl]acetamide

2-[acetyl(quinolin-8-yl)amino]-N-[2-(2-fluorophenyl)ethyl]acetamide (PubChem CID 113178673) has the molecular formula C21H20FN3O2 and a molecular weight of 365.41 g/mol. Its IUPAC name is 2-[acetyl(quinolin-8-yl)amino]-N-[2-(2-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[acetyl(quinolin-8-yl)amino]-N-[2-(2-fluorophenyl)ethyl]acetamide
PubChem CID113178673
Molecular FormulaC21H20FN3O2
Molecular Weight365.41 g/mol
Exact Mass365.15
IUPAC Name2-[acetyl(quinolin-8-yl)amino]-N-[2-(2-fluorophenyl)ethyl]acetamide
SMILESCC(=O)N(CC(=O)NCCc1ccccc1F)c1cccc2cccnc12
InChIInChI=1S/C21H20FN3O2/c1-15(26)25(19-10-4-7-17-8-5-12-24-21(17)19)14-20(27)23-13-11-16-6-2-3-9-18(16)22/h2-10,12H,11,13-14H2,1H3,(H,23,27)
InChIKeyYRDJHSZHJJVLQP-UHFFFAOYSA-N
XLogP3.09
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[acetyl(quinolin-8-yl)amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 113178675
2-[acetyl(quinolin-8-yl)amino]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 113178677
2-[acetyl(quinolin-8-yl)amino]-N-pentylacetamide
CID 113178698
2-[acetyl(quinolin-8-yl)amino]-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 113178693
methyl 2-[acetyl-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]amino]benzoate
CID 113176077
2-[acetyl(quinolin-8-yl)amino]-N-(2,4-difluorophenyl)acetamide
CID 113178774
3-[acetyl(quinolin-8-yl)amino]-N-[2-(4-chlorophenyl)ethyl]propanamide
CID 113133211
2-(N-acetyl-4-tert-butylanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 113170589
N-(4-acetylphenyl)-2-[acetyl(quinolin-8-yl)amino]acetamide
CID 113178758
2-[acetyl(quinolin-8-yl)amino]-N-(4-bromophenyl)acetamide
CID 113178742
2-fluoro-N-[2-oxo-2-(2-quinolin-8-ylethylamino)ethyl]benzamide
CID 18149345
2-(N-acetyl-3-chloro-4-fluoroanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 113172371

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(quinolin-8-yl)amino]-N-[2-(2-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-[acetyl(quinolin-8-yl)amino]-N-[2-(2-fluorophenyl)ethyl]acetamide (CID 113178673) is 2-[acetyl(quinolin-8-yl)amino]-N-[2-(2-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-[acetyl(quinolin-8-yl)amino]-N-[2-(2-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-[acetyl(quinolin-8-yl)amino]-N-[2-(2-fluorophenyl)ethyl]acetamide is CC(=O)N(CC(=O)NCCc1ccccc1F)c1cccc2cccnc12.
What is the InChIKey of 2-[acetyl(quinolin-8-yl)amino]-N-[2-(2-fluorophenyl)ethyl]acetamide?
The InChIKey is YRDJHSZHJJVLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O2/c1-15(26)25(19-10-4-7-17-8-5-12-24-21(17)19)14-20(27)23-13-11-16-6-2-3-9-18(16)22/h2-10,12H,11,13-14H2,1H3,(H,23,27).
What are the key properties of 2-[acetyl(quinolin-8-yl)amino]-N-[2-(2-fluorophenyl)ethyl]acetamide?
2-[acetyl(quinolin-8-yl)amino]-N-[2-(2-fluorophenyl)ethyl]acetamide has a molecular weight of 365.41 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(quinolin-8-yl)amino]-N-[2-(2-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 113178673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).