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

C21H23FN4O — CID 52528365

IUPACN-[(2R)-2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-methylquinoxalin-2-amine
SMILESCc1nc2ccccc2nc1NC[C@@H](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)/t20-/m0/s1
InChIKeyBIHTUCXTOATEJY-FQEVSTJZSA-N
MW366.44 g/mol
LogP3.56
Rot. Bonds5

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

N-[(2R)-2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-methylquinoxalin-2-amine (PubChem CID 52528365) has the molecular formula C21H23FN4O and a molecular weight of 366.44 g/mol. Its IUPAC name is N-[(2R)-2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-methylquinoxalin-2-amine.

Molecular Properties

Compound NameN-[(2R)-2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-methylquinoxalin-2-amine
PubChem CID52528365
Molecular FormulaC21H23FN4O
Molecular Weight366.44 g/mol
Exact Mass366.19
IUPAC NameN-[(2R)-2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-methylquinoxalin-2-amine
SMILESCc1nc2ccccc2nc1NC[C@@H](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)/t20-/m0/s1
InChIKeyBIHTUCXTOATEJY-FQEVSTJZSA-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

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-methylquinoxalin-2-amine?
The IUPAC name of N-[(2R)-2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-methylquinoxalin-2-amine (CID 52528365) is N-[(2R)-2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-methylquinoxalin-2-amine.
What is the SMILES notation for N-[(2R)-2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-methylquinoxalin-2-amine?
The canonical SMILES for N-[(2R)-2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-methylquinoxalin-2-amine is Cc1nc2ccccc2nc1NC[C@@H](c1cccc(F)c1)N1CCOCC1.
What is the InChIKey of N-[(2R)-2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-methylquinoxalin-2-amine?
The InChIKey is BIHTUCXTOATEJY-FQEVSTJZSA-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)/t20-/m0/s1.
What are the key properties of N-[(2R)-2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-methylquinoxalin-2-amine?
N-[(2R)-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-[(2R)-2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-methylquinoxalin-2-amine is sourced from PubChem (CID 52528365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).