[(2R)-2-[5-(6-fluoro-3-oxo-4H-quinoxalin-2-yl)pentyl]cyclopentyl] N-[2-[(2S,3R)-2-acetyl-3-methylpyrrolidin-1-yl]-2-oxoethyl]carbamate

About [(2R)-2-[5-(6-fluoro-3-oxo-4H-quinoxalin-2-yl)pentyl]cyclopentyl] N-[2-[(2S,3R)-2-acetyl-3-methylpyrrolidin-1-yl]-2-oxoethyl]carbamate

[(2R)-2-[5-(6-fluoro-3-oxo-4H-quinoxalin-2-yl)pentyl]cyclopentyl] N-[2-[(2S,3R)-2-acetyl-3-methylpyrrolidin-1-yl]-2-oxoethyl]carbamate (PubChem CID 129058044) has the molecular formula C28H37FN4O5 and a molecular weight of 528.63 g/mol. Its IUPAC name is [(2R)-2-[5-(6-fluoro-3-oxo-4H-quinoxalin-2-yl)pentyl]cyclopentyl] N-[2-[(2S,3R)-2-acetyl-3-methylpyrrolidin-1-yl]-2-oxoethyl]carbamate.

Molecular Properties

Compound Name	[(2R)-2-[5-(6-fluoro-3-oxo-4H-quinoxalin-2-yl)pentyl]cyclopentyl] N-[2-[(2S,3R)-2-acetyl-3-methylpyrrolidin-1-yl]-2-oxoethyl]carbamate
PubChem CID	129058044
Molecular Formula	C28H37FN4O5
Molecular Weight	528.63 g/mol
Exact Mass	528.27
IUPAC Name	[(2R)-2-[5-(6-fluoro-3-oxo-4H-quinoxalin-2-yl)pentyl]cyclopentyl] N-[2-[(2S,3R)-2-acetyl-3-methylpyrrolidin-1-yl]-2-oxoethyl]carbamate
SMILES	CC(=O)[C@@H]1[C@H](C)CCN1C(=O)CNC(=O)OC1CCC[C@H]1CCCCCc1nc2ccc(F)cc2[nH]c1=O
InChI	InChI=1S/C28H37FN4O5/c1-17-13-14-33(26(17)18(2)34)25(35)16-30-28(37)38-24-10-6-8-19(24)7-4-3-5-9-22-27(36)32-23-15-20(29)11-12-21(23)31-22/h11-12,15,17,19,24,26H,3-10,13-14,16H2,1-2H3,(H,30,37)(H,32,36)/t17-,19-,24?,26+/m1/s1
InChIKey	URWYWMVKTSNVCT-KFDVKNSZSA-N
XLogP	3.89
TPSA	121.46 Å²
H-Bond Donors	2
H-Bond Acceptors	6
Rotatable Bonds	10
Heavy Atoms	38
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	528.63
LogP ≤ 5	3.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[5-(6-fluoro-3-oxo-4H-quinoxalin-2-yl)pentyl]cyclopentyl] N-[2-[(2S,3R)-2-acetyl-3-methylpyrrolidin-1-yl]-2-oxoethyl]carbamate?

The IUPAC name of [(2R)-2-[5-(6-fluoro-3-oxo-4H-quinoxalin-2-yl)pentyl]cyclopentyl] N-[2-[(2S,3R)-2-acetyl-3-methylpyrrolidin-1-yl]-2-oxoethyl]carbamate (CID 129058044) is [(2R)-2-[5-(6-fluoro-3-oxo-4H-quinoxalin-2-yl)pentyl]cyclopentyl] N-[2-[(2S,3R)-2-acetyl-3-methylpyrrolidin-1-yl]-2-oxoethyl]carbamate.

What is the SMILES notation for [(2R)-2-[5-(6-fluoro-3-oxo-4H-quinoxalin-2-yl)pentyl]cyclopentyl] N-[2-[(2S,3R)-2-acetyl-3-methylpyrrolidin-1-yl]-2-oxoethyl]carbamate?

The canonical SMILES for [(2R)-2-[5-(6-fluoro-3-oxo-4H-quinoxalin-2-yl)pentyl]cyclopentyl] N-[2-[(2S,3R)-2-acetyl-3-methylpyrrolidin-1-yl]-2-oxoethyl]carbamate is CC(=O)[C@@H]1[C@H](C)CCN1C(=O)CNC(=O)OC1CCC[C@H]1CCCCCc1nc2ccc(F)cc2[nH]c1=O.

What is the InChIKey of [(2R)-2-[5-(6-fluoro-3-oxo-4H-quinoxalin-2-yl)pentyl]cyclopentyl] N-[2-[(2S,3R)-2-acetyl-3-methylpyrrolidin-1-yl]-2-oxoethyl]carbamate?

The InChIKey is URWYWMVKTSNVCT-KFDVKNSZSA-N. The full InChI is InChI=1S/C28H37FN4O5/c1-17-13-14-33(26(17)18(2)34)25(35)16-30-28(37)38-24-10-6-8-19(24)7-4-3-5-9-22-27(36)32-23-15-20(29)11-12-21(23)31-22/h11-12,15,17,19,24,26H,3-10,13-14,16H2,1-2H3,(H,30,37)(H,32,36)/t17-,19-,24?,26+/m1/s1.

What are the key properties of [(2R)-2-[5-(6-fluoro-3-oxo-4H-quinoxalin-2-yl)pentyl]cyclopentyl] N-[2-[(2S,3R)-2-acetyl-3-methylpyrrolidin-1-yl]-2-oxoethyl]carbamate?

[(2R)-2-[5-(6-fluoro-3-oxo-4H-quinoxalin-2-yl)pentyl]cyclopentyl] N-[2-[(2S,3R)-2-acetyl-3-methylpyrrolidin-1-yl]-2-oxoethyl]carbamate has a molecular weight of 528.63 g/mol, XLogP of 3.89, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-2-[5-(6-fluoro-3-oxo-4H-quinoxalin-2-yl)pentyl]cyclopentyl] N-[2-[(2S,3R)-2-acetyl-3-methylpyrrolidin-1-yl]-2-oxoethyl]carbamate is sourced from PubChem (CID 129058044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).