N-[1-(4-benzylmorpholin-2-yl)ethyl]-3-fluoroquinoxalin-2-amine

C21H23FN4O — CID 146153527

IUPACN-[1-(4-benzylmorpholin-2-yl)ethyl]-3-fluoroquinoxalin-2-amine
SMILESCC(Nc1nc2ccccc2nc1F)C1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C21H23FN4O/c1-15(23-21-20(22)24-17-9-5-6-10-18(17)25-21)19-14-26(11-12-27-19)13-16-7-3-2-4-8-16/h2-10,15,19H,11-14H2,1H3,(H,23,25)
InChIKeyDFPHMZJABVWRNH-UHFFFAOYSA-N
MW366.44 g/mol
LogP3.47
Rot. Bonds5

About N-[1-(4-benzylmorpholin-2-yl)ethyl]-3-fluoroquinoxalin-2-amine

N-[1-(4-benzylmorpholin-2-yl)ethyl]-3-fluoroquinoxalin-2-amine (PubChem CID 146153527) has the molecular formula C21H23FN4O and a molecular weight of 366.44 g/mol. Its IUPAC name is N-[1-(4-benzylmorpholin-2-yl)ethyl]-3-fluoroquinoxalin-2-amine.

Molecular Properties

Compound NameN-[1-(4-benzylmorpholin-2-yl)ethyl]-3-fluoroquinoxalin-2-amine
PubChem CID146153527
Molecular FormulaC21H23FN4O
Molecular Weight366.44 g/mol
Exact Mass366.19
IUPAC NameN-[1-(4-benzylmorpholin-2-yl)ethyl]-3-fluoroquinoxalin-2-amine
SMILESCC(Nc1nc2ccccc2nc1F)C1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C21H23FN4O/c1-15(23-21-20(22)24-17-9-5-6-10-18(17)25-21)19-14-26(11-12-27-19)13-16-7-3-2-4-8-16/h2-10,15,19H,11-14H2,1H3,(H,23,25)
InChIKeyDFPHMZJABVWRNH-UHFFFAOYSA-N
XLogP3.47
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-benzylmorpholin-2-yl)ethyl]-3-fluoroquinoxalin-2-amine?
The IUPAC name of N-[1-(4-benzylmorpholin-2-yl)ethyl]-3-fluoroquinoxalin-2-amine (CID 146153527) is N-[1-(4-benzylmorpholin-2-yl)ethyl]-3-fluoroquinoxalin-2-amine.
What is the SMILES notation for N-[1-(4-benzylmorpholin-2-yl)ethyl]-3-fluoroquinoxalin-2-amine?
The canonical SMILES for N-[1-(4-benzylmorpholin-2-yl)ethyl]-3-fluoroquinoxalin-2-amine is CC(Nc1nc2ccccc2nc1F)C1CN(Cc2ccccc2)CCO1.
What is the InChIKey of N-[1-(4-benzylmorpholin-2-yl)ethyl]-3-fluoroquinoxalin-2-amine?
The InChIKey is DFPHMZJABVWRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O/c1-15(23-21-20(22)24-17-9-5-6-10-18(17)25-21)19-14-26(11-12-27-19)13-16-7-3-2-4-8-16/h2-10,15,19H,11-14H2,1H3,(H,23,25).
What are the key properties of N-[1-(4-benzylmorpholin-2-yl)ethyl]-3-fluoroquinoxalin-2-amine?
N-[1-(4-benzylmorpholin-2-yl)ethyl]-3-fluoroquinoxalin-2-amine has a molecular weight of 366.44 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-benzylmorpholin-2-yl)ethyl]-3-fluoroquinoxalin-2-amine is sourced from PubChem (CID 146153527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).