N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-methylquinoxalin-2-amine

C21H23FN4O — CID 51126679

IUPACN-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-methylquinoxalin-2-amine
SMILESCc1nc2ccccc2nc1NCC(c1cccc(F)c1)N1CCOCC1
InChIInChI=1S/C21H23FN4O/c1-15-21(25-19-8-3-2-7-18(19)24-15)23-14-20(26-9-11-27-12-10-26)16-5-4-6-17(22)13-16/h2-8,13,20H,9-12,14H2,1H3,(H,23,25)
InChIKeyBIHTUCXTOATEJY-UHFFFAOYSA-N
MW366.44 g/mol
LogP3.56
Rot. Bonds5

About N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-methylquinoxalin-2-amine

N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-methylquinoxalin-2-amine (PubChem CID 51126679) has the molecular formula C21H23FN4O and a molecular weight of 366.44 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-methylquinoxalin-2-amine.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-methylquinoxalin-2-amine
PubChem CID51126679
Molecular FormulaC21H23FN4O
Molecular Weight366.44 g/mol
Exact Mass366.19
IUPAC NameN-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-methylquinoxalin-2-amine
SMILESCc1nc2ccccc2nc1NCC(c1cccc(F)c1)N1CCOCC1
InChIInChI=1S/C21H23FN4O/c1-15-21(25-19-8-3-2-7-18(19)24-15)23-14-20(26-9-11-27-12-10-26)16-5-4-6-17(22)13-16/h2-8,13,20H,9-12,14H2,1H3,(H,23,25)
InChIKeyBIHTUCXTOATEJY-UHFFFAOYSA-N
XLogP3.56
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 ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-methylquinoxalin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-methylquinoxalin-2-amine?
The IUPAC name of N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-methylquinoxalin-2-amine (CID 51126679) is N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-methylquinoxalin-2-amine.
What is the SMILES notation for N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-methylquinoxalin-2-amine?
The canonical SMILES for N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-methylquinoxalin-2-amine is Cc1nc2ccccc2nc1NCC(c1cccc(F)c1)N1CCOCC1.
What is the InChIKey of N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-methylquinoxalin-2-amine?
The InChIKey is BIHTUCXTOATEJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O/c1-15-21(25-19-8-3-2-7-18(19)24-15)23-14-20(26-9-11-27-12-10-26)16-5-4-6-17(22)13-16/h2-8,13,20H,9-12,14H2,1H3,(H,23,25).
What are the key properties of N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-methylquinoxalin-2-amine?
N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-methylquinoxalin-2-amine has a molecular weight of 366.44 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-methylquinoxalin-2-amine is sourced from PubChem (CID 51126679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).