1-[4-(4-fluorophenyl)-2,3-dihydroquinoxalin-1-yl]-3-(2-methylpyrrolidin-1-yl)propan-1-one

C22H26FN3O — CID 170155601

IUPAC1-[4-(4-fluorophenyl)-2,3-dihydroquinoxalin-1-yl]-3-(2-methylpyrrolidin-1-yl)propan-1-one
SMILESCC1CCCN1CCC(=O)N1CCN(c2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C22H26FN3O/c1-17-5-4-13-24(17)14-12-22(27)26-16-15-25(19-10-8-18(23)9-11-19)20-6-2-3-7-21(20)26/h2-3,6-11,17H,4-5,12-16H2,1H3
InChIKeyGSLFGVILNCBAFG-UHFFFAOYSA-N
MW367.47 g/mol
LogP4.18
Rot. Bonds4

About 1-[4-(4-fluorophenyl)-2,3-dihydroquinoxalin-1-yl]-3-(2-methylpyrrolidin-1-yl)propan-1-one

1-[4-(4-fluorophenyl)-2,3-dihydroquinoxalin-1-yl]-3-(2-methylpyrrolidin-1-yl)propan-1-one (PubChem CID 170155601) has the molecular formula C22H26FN3O and a molecular weight of 367.47 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)-2,3-dihydroquinoxalin-1-yl]-3-(2-methylpyrrolidin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)-2,3-dihydroquinoxalin-1-yl]-3-(2-methylpyrrolidin-1-yl)propan-1-one
PubChem CID170155601
Molecular FormulaC22H26FN3O
Molecular Weight367.47 g/mol
Exact Mass367.21
IUPAC Name1-[4-(4-fluorophenyl)-2,3-dihydroquinoxalin-1-yl]-3-(2-methylpyrrolidin-1-yl)propan-1-one
SMILESCC1CCCN1CCC(=O)N1CCN(c2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C22H26FN3O/c1-17-5-4-13-24(17)14-12-22(27)26-16-15-25(19-10-8-18(23)9-11-19)20-6-2-3-7-21(20)26/h2-3,6-11,17H,4-5,12-16H2,1H3
InChIKeyGSLFGVILNCBAFG-UHFFFAOYSA-N
XLogP4.18
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)-2,3-dihydroquinoxalin-1-yl]-3-(2-methylpyrrolidin-1-yl)propan-1-one?
The IUPAC name of 1-[4-(4-fluorophenyl)-2,3-dihydroquinoxalin-1-yl]-3-(2-methylpyrrolidin-1-yl)propan-1-one (CID 170155601) is 1-[4-(4-fluorophenyl)-2,3-dihydroquinoxalin-1-yl]-3-(2-methylpyrrolidin-1-yl)propan-1-one.
What is the SMILES notation for 1-[4-(4-fluorophenyl)-2,3-dihydroquinoxalin-1-yl]-3-(2-methylpyrrolidin-1-yl)propan-1-one?
The canonical SMILES for 1-[4-(4-fluorophenyl)-2,3-dihydroquinoxalin-1-yl]-3-(2-methylpyrrolidin-1-yl)propan-1-one is CC1CCCN1CCC(=O)N1CCN(c2ccc(F)cc2)c2ccccc21.
What is the InChIKey of 1-[4-(4-fluorophenyl)-2,3-dihydroquinoxalin-1-yl]-3-(2-methylpyrrolidin-1-yl)propan-1-one?
The InChIKey is GSLFGVILNCBAFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O/c1-17-5-4-13-24(17)14-12-22(27)26-16-15-25(19-10-8-18(23)9-11-19)20-6-2-3-7-21(20)26/h2-3,6-11,17H,4-5,12-16H2,1H3.
What are the key properties of 1-[4-(4-fluorophenyl)-2,3-dihydroquinoxalin-1-yl]-3-(2-methylpyrrolidin-1-yl)propan-1-one?
1-[4-(4-fluorophenyl)-2,3-dihydroquinoxalin-1-yl]-3-(2-methylpyrrolidin-1-yl)propan-1-one has a molecular weight of 367.47 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)-2,3-dihydroquinoxalin-1-yl]-3-(2-methylpyrrolidin-1-yl)propan-1-one is sourced from PubChem (CID 170155601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).