4-(5-fluoro-1,2,3,4-tetrahydroquinolin-3-yl)morpholine

C13H17FN2O — CID 105497797

IUPAC4-(5-fluoro-1,2,3,4-tetrahydroquinolin-3-yl)morpholine
SMILESFc1cccc2c1CC(N1CCOCC1)CN2
InChIInChI=1S/C13H17FN2O/c14-12-2-1-3-13-11(12)8-10(9-15-13)16-4-6-17-7-5-16/h1-3,10,15H,4-9H2
InChIKeyNZKPIDPRPRBGEL-UHFFFAOYSA-N
MW236.29 g/mol
LogP1.49
Rot. Bonds1

About 4-(5-fluoro-1,2,3,4-tetrahydroquinolin-3-yl)morpholine

4-(5-fluoro-1,2,3,4-tetrahydroquinolin-3-yl)morpholine (PubChem CID 105497797) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is 4-(5-fluoro-1,2,3,4-tetrahydroquinolin-3-yl)morpholine.

Molecular Properties

Compound Name4-(5-fluoro-1,2,3,4-tetrahydroquinolin-3-yl)morpholine
PubChem CID105497797
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name4-(5-fluoro-1,2,3,4-tetrahydroquinolin-3-yl)morpholine
SMILESFc1cccc2c1CC(N1CCOCC1)CN2
InChIInChI=1S/C13H17FN2O/c14-12-2-1-3-13-11(12)8-10(9-15-13)16-4-6-17-7-5-16/h1-3,10,15H,4-9H2
InChIKeyNZKPIDPRPRBGEL-UHFFFAOYSA-N
XLogP1.49
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-1,2,3,4-tetrahydroquinolin-3-yl)morpholine?
The IUPAC name of 4-(5-fluoro-1,2,3,4-tetrahydroquinolin-3-yl)morpholine (CID 105497797) is 4-(5-fluoro-1,2,3,4-tetrahydroquinolin-3-yl)morpholine.
What is the SMILES notation for 4-(5-fluoro-1,2,3,4-tetrahydroquinolin-3-yl)morpholine?
The canonical SMILES for 4-(5-fluoro-1,2,3,4-tetrahydroquinolin-3-yl)morpholine is Fc1cccc2c1CC(N1CCOCC1)CN2.
What is the InChIKey of 4-(5-fluoro-1,2,3,4-tetrahydroquinolin-3-yl)morpholine?
The InChIKey is NZKPIDPRPRBGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c14-12-2-1-3-13-11(12)8-10(9-15-13)16-4-6-17-7-5-16/h1-3,10,15H,4-9H2.
What are the key properties of 4-(5-fluoro-1,2,3,4-tetrahydroquinolin-3-yl)morpholine?
4-(5-fluoro-1,2,3,4-tetrahydroquinolin-3-yl)morpholine has a molecular weight of 236.29 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-1,2,3,4-tetrahydroquinolin-3-yl)morpholine is sourced from PubChem (CID 105497797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).