2-[(4-fluorophenyl)methyl]-3-[(3-morpholin-4-ylquinoxalin-2-yl)amino]propanamide

C22H24FN5O2 — CID 133454024

IUPAC2-[(4-fluorophenyl)methyl]-3-[(3-morpholin-4-ylquinoxalin-2-yl)amino]propanamide
SMILESNC(=O)C(CNc1nc2ccccc2nc1N1CCOCC1)Cc1ccc(F)cc1
InChIInChI=1S/C22H24FN5O2/c23-17-7-5-15(6-8-17)13-16(20(24)29)14-25-21-22(28-9-11-30-12-10-28)27-19-4-2-1-3-18(19)26-21/h1-8,16H,9-14H2,(H2,24,29)(H,25,26)
InChIKeyDELMYJWXRNOQEP-UHFFFAOYSA-N
MW409.47 g/mol
LogP2.36
Rot. Bonds7

About 2-[(4-fluorophenyl)methyl]-3-[(3-morpholin-4-ylquinoxalin-2-yl)amino]propanamide

2-[(4-fluorophenyl)methyl]-3-[(3-morpholin-4-ylquinoxalin-2-yl)amino]propanamide (PubChem CID 133454024) has the molecular formula C22H24FN5O2 and a molecular weight of 409.47 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-3-[(3-morpholin-4-ylquinoxalin-2-yl)amino]propanamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-3-[(3-morpholin-4-ylquinoxalin-2-yl)amino]propanamide
PubChem CID133454024
Molecular FormulaC22H24FN5O2
Molecular Weight409.47 g/mol
Exact Mass409.19
IUPAC Name2-[(4-fluorophenyl)methyl]-3-[(3-morpholin-4-ylquinoxalin-2-yl)amino]propanamide
SMILESNC(=O)C(CNc1nc2ccccc2nc1N1CCOCC1)Cc1ccc(F)cc1
InChIInChI=1S/C22H24FN5O2/c23-17-7-5-15(6-8-17)13-16(20(24)29)14-25-21-22(28-9-11-30-12-10-28)27-19-4-2-1-3-18(19)26-21/h1-8,16H,9-14H2,(H2,24,29)(H,25,26)
InChIKeyDELMYJWXRNOQEP-UHFFFAOYSA-N
XLogP2.36
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-3-[(3-morpholin-4-ylquinoxalin-2-yl)amino]propanamide?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-3-[(3-morpholin-4-ylquinoxalin-2-yl)amino]propanamide (CID 133454024) is 2-[(4-fluorophenyl)methyl]-3-[(3-morpholin-4-ylquinoxalin-2-yl)amino]propanamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-3-[(3-morpholin-4-ylquinoxalin-2-yl)amino]propanamide?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-3-[(3-morpholin-4-ylquinoxalin-2-yl)amino]propanamide is NC(=O)C(CNc1nc2ccccc2nc1N1CCOCC1)Cc1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-3-[(3-morpholin-4-ylquinoxalin-2-yl)amino]propanamide?
The InChIKey is DELMYJWXRNOQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O2/c23-17-7-5-15(6-8-17)13-16(20(24)29)14-25-21-22(28-9-11-30-12-10-28)27-19-4-2-1-3-18(19)26-21/h1-8,16H,9-14H2,(H2,24,29)(H,25,26).
What are the key properties of 2-[(4-fluorophenyl)methyl]-3-[(3-morpholin-4-ylquinoxalin-2-yl)amino]propanamide?
2-[(4-fluorophenyl)methyl]-3-[(3-morpholin-4-ylquinoxalin-2-yl)amino]propanamide has a molecular weight of 409.47 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-3-[(3-morpholin-4-ylquinoxalin-2-yl)amino]propanamide is sourced from PubChem (CID 133454024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).