3-(N-acetyl-3-fluoroanilino)-N-quinolin-8-ylpropanamide

C20H18FN3O2 — CID 113132499

IUPAC3-(N-acetyl-3-fluoroanilino)-N-quinolin-8-ylpropanamide
SMILESCC(=O)N(CCC(=O)Nc1cccc2cccnc12)c1cccc(F)c1
InChIInChI=1S/C20H18FN3O2/c1-14(25)24(17-8-3-7-16(21)13-17)12-10-19(26)23-18-9-2-5-15-6-4-11-22-20(15)18/h2-9,11,13H,10,12H2,1H3,(H,23,26)
InChIKeyACFDTQUSGHYXJL-UHFFFAOYSA-N
MW351.38 g/mol
LogP3.76
Rot. Bonds5

About 3-(N-acetyl-3-fluoroanilino)-N-quinolin-8-ylpropanamide

3-(N-acetyl-3-fluoroanilino)-N-quinolin-8-ylpropanamide (PubChem CID 113132499) has the molecular formula C20H18FN3O2 and a molecular weight of 351.38 g/mol. Its IUPAC name is 3-(N-acetyl-3-fluoroanilino)-N-quinolin-8-ylpropanamide.

Molecular Properties

Compound Name3-(N-acetyl-3-fluoroanilino)-N-quinolin-8-ylpropanamide
PubChem CID113132499
Molecular FormulaC20H18FN3O2
Molecular Weight351.38 g/mol
Exact Mass351.14
IUPAC Name3-(N-acetyl-3-fluoroanilino)-N-quinolin-8-ylpropanamide
SMILESCC(=O)N(CCC(=O)Nc1cccc2cccnc12)c1cccc(F)c1
InChIInChI=1S/C20H18FN3O2/c1-14(25)24(17-8-3-7-16(21)13-17)12-10-19(26)23-18-9-2-5-15-6-4-11-22-20(15)18/h2-9,11,13H,10,12H2,1H3,(H,23,26)
InChIKeyACFDTQUSGHYXJL-UHFFFAOYSA-N
XLogP3.76
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-acetamido-N-acetylanilino)-N-quinolin-8-ylpropanamide
CID 113131055
3-(N-acetyl-3-cyanoanilino)-N-quinolin-8-ylpropanamide
CID 113134986
3-[N-acetyl-4-(dimethylamino)anilino]-N-quinolin-8-ylpropanamide
CID 113131810
3-(N-acetyl-4-ethoxyanilino)-N-quinolin-8-ylpropanamide
CID 113129507
3-(N-acetyl-2,5-dimethylanilino)-N-quinolin-8-ylpropanamide
CID 113124439
2-(3-fluorophenyl)-N-quinolin-8-ylacetamide
CID 17466971
3-(N-acetyl-3-fluoroanilino)-N-(4-chloro-2-methylphenyl)propanamide
CID 113132451
2-(N-acetyl-2,4,6-trimethylanilino)-N-quinolin-8-ylacetamide
CID 113170068
3-(N-acetyl-3-fluoroanilino)-N-(3,4-difluorophenyl)propanamide
CID 113132521
3-(3-methyl-N-methylsulfonylanilino)-N-quinolin-8-ylpropanamide
CID 113141855
2-(N-acetyl-4-chloroanilino)-N-quinolin-8-ylacetamide
CID 113171635
N-(2,4-difluorophenyl)-N'-quinolin-8-ylpropanediamide
CID 108956736

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-3-fluoroanilino)-N-quinolin-8-ylpropanamide?
The IUPAC name of 3-(N-acetyl-3-fluoroanilino)-N-quinolin-8-ylpropanamide (CID 113132499) is 3-(N-acetyl-3-fluoroanilino)-N-quinolin-8-ylpropanamide.
What is the SMILES notation for 3-(N-acetyl-3-fluoroanilino)-N-quinolin-8-ylpropanamide?
The canonical SMILES for 3-(N-acetyl-3-fluoroanilino)-N-quinolin-8-ylpropanamide is CC(=O)N(CCC(=O)Nc1cccc2cccnc12)c1cccc(F)c1.
What is the InChIKey of 3-(N-acetyl-3-fluoroanilino)-N-quinolin-8-ylpropanamide?
The InChIKey is ACFDTQUSGHYXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O2/c1-14(25)24(17-8-3-7-16(21)13-17)12-10-19(26)23-18-9-2-5-15-6-4-11-22-20(15)18/h2-9,11,13H,10,12H2,1H3,(H,23,26).
What are the key properties of 3-(N-acetyl-3-fluoroanilino)-N-quinolin-8-ylpropanamide?
3-(N-acetyl-3-fluoroanilino)-N-quinolin-8-ylpropanamide has a molecular weight of 351.38 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-3-fluoroanilino)-N-quinolin-8-ylpropanamide is sourced from PubChem (CID 113132499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).