N-[(4-fluorophenyl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)-N-prop-2-enylpropanamide

C21H20FN3O2 — CID 46984852

IUPACN-[(4-fluorophenyl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)-N-prop-2-enylpropanamide
SMILESC=CCN(Cc1ccc(F)cc1)C(=O)CCc1nc2ccccc2[nH]c1=O
InChIInChI=1S/C21H20FN3O2/c1-2-13-25(14-15-7-9-16(22)10-8-15)20(26)12-11-19-21(27)24-18-6-4-3-5-17(18)23-19/h2-10H,1,11-14H2,(H,24,27)
InChIKeySTBKXHQIJQNAAP-UHFFFAOYSA-N
MW365.41 g/mol
LogP3.21
Rot. Bonds7

About N-[(4-fluorophenyl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)-N-prop-2-enylpropanamide

N-[(4-fluorophenyl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)-N-prop-2-enylpropanamide (PubChem CID 46984852) has the molecular formula C21H20FN3O2 and a molecular weight of 365.41 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)-N-prop-2-enylpropanamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)-N-prop-2-enylpropanamide
PubChem CID46984852
Molecular FormulaC21H20FN3O2
Molecular Weight365.41 g/mol
Exact Mass365.15
IUPAC NameN-[(4-fluorophenyl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)-N-prop-2-enylpropanamide
SMILESC=CCN(Cc1ccc(F)cc1)C(=O)CCc1nc2ccccc2[nH]c1=O
InChIInChI=1S/C21H20FN3O2/c1-2-13-25(14-15-7-9-16(22)10-8-15)20(26)12-11-19-21(27)24-18-6-4-3-5-17(18)23-19/h2-10H,1,11-14H2,(H,24,27)
InChIKeySTBKXHQIJQNAAP-UHFFFAOYSA-N
XLogP3.21
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)-N-prop-2-enylpropanamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)-N-prop-2-enylpropanamide (CID 46984852) is N-[(4-fluorophenyl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)-N-prop-2-enylpropanamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)-N-prop-2-enylpropanamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)-N-prop-2-enylpropanamide is C=CCN(Cc1ccc(F)cc1)C(=O)CCc1nc2ccccc2[nH]c1=O.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)-N-prop-2-enylpropanamide?
The InChIKey is STBKXHQIJQNAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O2/c1-2-13-25(14-15-7-9-16(22)10-8-15)20(26)12-11-19-21(27)24-18-6-4-3-5-17(18)23-19/h2-10H,1,11-14H2,(H,24,27).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)-N-prop-2-enylpropanamide?
N-[(4-fluorophenyl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)-N-prop-2-enylpropanamide has a molecular weight of 365.41 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)-N-prop-2-enylpropanamide is sourced from PubChem (CID 46984852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).