1-quinolin-3-ylethyl 2-(2-fluorophenyl)-2-morpholin-4-ylacetate

C23H23FN2O3 — CID 75452256

IUPAC1-quinolin-3-ylethyl 2-(2-fluorophenyl)-2-morpholin-4-ylacetate
SMILESCC(OC(=O)C(c1ccccc1F)N1CCOCC1)c1cnc2ccccc2c1
InChIInChI=1S/C23H23FN2O3/c1-16(18-14-17-6-2-5-9-21(17)25-15-18)29-23(27)22(26-10-12-28-13-11-26)19-7-3-4-8-20(19)24/h2-9,14-16,22H,10-13H2,1H3
InChIKeyBOODONZNEBRUFR-UHFFFAOYSA-N
MW394.45 g/mol
LogP4.05
Rot. Bonds5

About 1-quinolin-3-ylethyl 2-(2-fluorophenyl)-2-morpholin-4-ylacetate

1-quinolin-3-ylethyl 2-(2-fluorophenyl)-2-morpholin-4-ylacetate (PubChem CID 75452256) has the molecular formula C23H23FN2O3 and a molecular weight of 394.45 g/mol. Its IUPAC name is 1-quinolin-3-ylethyl 2-(2-fluorophenyl)-2-morpholin-4-ylacetate.

Molecular Properties

Compound Name1-quinolin-3-ylethyl 2-(2-fluorophenyl)-2-morpholin-4-ylacetate
PubChem CID75452256
Molecular FormulaC23H23FN2O3
Molecular Weight394.45 g/mol
Exact Mass394.17
IUPAC Name1-quinolin-3-ylethyl 2-(2-fluorophenyl)-2-morpholin-4-ylacetate
SMILESCC(OC(=O)C(c1ccccc1F)N1CCOCC1)c1cnc2ccccc2c1
InChIInChI=1S/C23H23FN2O3/c1-16(18-14-17-6-2-5-9-21(17)25-15-18)29-23(27)22(26-10-12-28-13-11-26)19-7-3-4-8-20(19)24/h2-9,14-16,22H,10-13H2,1H3
InChIKeyBOODONZNEBRUFR-UHFFFAOYSA-N
XLogP4.05
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-quinolin-3-ylethyl 2-(2-fluorophenyl)-2-morpholin-4-ylacetate?
The IUPAC name of 1-quinolin-3-ylethyl 2-(2-fluorophenyl)-2-morpholin-4-ylacetate (CID 75452256) is 1-quinolin-3-ylethyl 2-(2-fluorophenyl)-2-morpholin-4-ylacetate.
What is the SMILES notation for 1-quinolin-3-ylethyl 2-(2-fluorophenyl)-2-morpholin-4-ylacetate?
The canonical SMILES for 1-quinolin-3-ylethyl 2-(2-fluorophenyl)-2-morpholin-4-ylacetate is CC(OC(=O)C(c1ccccc1F)N1CCOCC1)c1cnc2ccccc2c1.
What is the InChIKey of 1-quinolin-3-ylethyl 2-(2-fluorophenyl)-2-morpholin-4-ylacetate?
The InChIKey is BOODONZNEBRUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O3/c1-16(18-14-17-6-2-5-9-21(17)25-15-18)29-23(27)22(26-10-12-28-13-11-26)19-7-3-4-8-20(19)24/h2-9,14-16,22H,10-13H2,1H3.
What are the key properties of 1-quinolin-3-ylethyl 2-(2-fluorophenyl)-2-morpholin-4-ylacetate?
1-quinolin-3-ylethyl 2-(2-fluorophenyl)-2-morpholin-4-ylacetate has a molecular weight of 394.45 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-quinolin-3-ylethyl 2-(2-fluorophenyl)-2-morpholin-4-ylacetate is sourced from PubChem (CID 75452256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).