[2-[(4-fluorophenyl)methyl]-2-methyl-3-oxo-3-(quinolin-8-ylamino)propyl] acetate

C22H21FN2O3 — CID 134951246

IUPAC[2-[(4-fluorophenyl)methyl]-2-methyl-3-oxo-3-(quinolin-8-ylamino)propyl] acetate
SMILESCC(=O)OCC(C)(Cc1ccc(F)cc1)C(=O)Nc1cccc2cccnc12
InChIInChI=1S/C22H21FN2O3/c1-15(26)28-14-22(2,13-16-8-10-18(23)11-9-16)21(27)25-19-7-3-5-17-6-4-12-24-20(17)19/h3-12H,13-14H2,1-2H3,(H,25,27)
InChIKeyQQNOWSYCRHNJCZ-UHFFFAOYSA-N
MW380.42 g/mol
LogP4.12
Rot. Bonds6

About [2-[(4-fluorophenyl)methyl]-2-methyl-3-oxo-3-(quinolin-8-ylamino)propyl] acetate

[2-[(4-fluorophenyl)methyl]-2-methyl-3-oxo-3-(quinolin-8-ylamino)propyl] acetate (PubChem CID 134951246) has the molecular formula C22H21FN2O3 and a molecular weight of 380.42 g/mol. Its IUPAC name is [2-[(4-fluorophenyl)methyl]-2-methyl-3-oxo-3-(quinolin-8-ylamino)propyl] acetate.

Molecular Properties

Compound Name[2-[(4-fluorophenyl)methyl]-2-methyl-3-oxo-3-(quinolin-8-ylamino)propyl] acetate
PubChem CID134951246
Molecular FormulaC22H21FN2O3
Molecular Weight380.42 g/mol
Exact Mass380.15
IUPAC Name[2-[(4-fluorophenyl)methyl]-2-methyl-3-oxo-3-(quinolin-8-ylamino)propyl] acetate
SMILESCC(=O)OCC(C)(Cc1ccc(F)cc1)C(=O)Nc1cccc2cccnc12
InChIInChI=1S/C22H21FN2O3/c1-15(26)28-14-22(2,13-16-8-10-18(23)11-9-16)21(27)25-19-7-3-5-17-6-4-12-24-20(17)19/h3-12H,13-14H2,1-2H3,(H,25,27)
InChIKeyQQNOWSYCRHNJCZ-UHFFFAOYSA-N
XLogP4.12
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[(4-fluorophenyl)methyl]-2-methyl-3-oxo-3-(quinolin-8-ylamino)propyl] acetate?
The IUPAC name of [2-[(4-fluorophenyl)methyl]-2-methyl-3-oxo-3-(quinolin-8-ylamino)propyl] acetate (CID 134951246) is [2-[(4-fluorophenyl)methyl]-2-methyl-3-oxo-3-(quinolin-8-ylamino)propyl] acetate.
What is the SMILES notation for [2-[(4-fluorophenyl)methyl]-2-methyl-3-oxo-3-(quinolin-8-ylamino)propyl] acetate?
The canonical SMILES for [2-[(4-fluorophenyl)methyl]-2-methyl-3-oxo-3-(quinolin-8-ylamino)propyl] acetate is CC(=O)OCC(C)(Cc1ccc(F)cc1)C(=O)Nc1cccc2cccnc12.
What is the InChIKey of [2-[(4-fluorophenyl)methyl]-2-methyl-3-oxo-3-(quinolin-8-ylamino)propyl] acetate?
The InChIKey is QQNOWSYCRHNJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O3/c1-15(26)28-14-22(2,13-16-8-10-18(23)11-9-16)21(27)25-19-7-3-5-17-6-4-12-24-20(17)19/h3-12H,13-14H2,1-2H3,(H,25,27).
What are the key properties of [2-[(4-fluorophenyl)methyl]-2-methyl-3-oxo-3-(quinolin-8-ylamino)propyl] acetate?
[2-[(4-fluorophenyl)methyl]-2-methyl-3-oxo-3-(quinolin-8-ylamino)propyl] acetate has a molecular weight of 380.42 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-fluorophenyl)methyl]-2-methyl-3-oxo-3-(quinolin-8-ylamino)propyl] acetate is sourced from PubChem (CID 134951246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).