1-(4-pyrrolidin-1-ylphenyl)-4-(4-quinoxalin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one

C27H30N6O2 — CID 108741423

IUPAC1-(4-pyrrolidin-1-ylphenyl)-4-(4-quinoxalin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
SMILESO=C(C1CC(=O)N(c2ccc(N3CCCC3)cc2)C1)N1CCN(c2cnc3ccccc3n2)CC1
InChIInChI=1S/C27H30N6O2/c34-26-17-20(19-33(26)22-9-7-21(8-10-22)30-11-3-4-12-30)27(35)32-15-13-31(14-16-32)25-18-28-23-5-1-2-6-24(23)29-25/h1-2,5-10,18,20H,3-4,11-17,19H2
InChIKeyRYONARRQUWDPTM-UHFFFAOYSA-N
MW470.58 g/mol
LogP2.93
Rot. Bonds4

About 1-(4-pyrrolidin-1-ylphenyl)-4-(4-quinoxalin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one

1-(4-pyrrolidin-1-ylphenyl)-4-(4-quinoxalin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one (PubChem CID 108741423) has the molecular formula C27H30N6O2 and a molecular weight of 470.58 g/mol. Its IUPAC name is 1-(4-pyrrolidin-1-ylphenyl)-4-(4-quinoxalin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-pyrrolidin-1-ylphenyl)-4-(4-quinoxalin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
PubChem CID108741423
Molecular FormulaC27H30N6O2
Molecular Weight470.58 g/mol
Exact Mass470.24
IUPAC Name1-(4-pyrrolidin-1-ylphenyl)-4-(4-quinoxalin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
SMILESO=C(C1CC(=O)N(c2ccc(N3CCCC3)cc2)C1)N1CCN(c2cnc3ccccc3n2)CC1
InChIInChI=1S/C27H30N6O2/c34-26-17-20(19-33(26)22-9-7-21(8-10-22)30-11-3-4-12-30)27(35)32-15-13-31(14-16-32)25-18-28-23-5-1-2-6-24(23)29-25/h1-2,5-10,18,20H,3-4,11-17,19H2
InChIKeyRYONARRQUWDPTM-UHFFFAOYSA-N
XLogP2.93
TPSA72.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.58
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-(4-methoxyphenyl)-4-(4-quinoxalin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 108741412
1-(4-butylphenyl)-4-(4-quinoxalin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 108763989
4-(piperidine-1-carbonyl)-1-(4-piperidin-1-ylphenyl)pyrrolidin-2-one
CID 113189848
1-(5-chloro-2-methoxyphenyl)-4-(4-quinoxalin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 108763993
cyclobutyl-(4-quinoxalin-2-yl-1,4-diazepan-1-yl)methanone
CID 166603282
1-(4-butylphenyl)-4-(4-quinolin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 108764132
1-(4-methylphenyl)-4-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 122334353
1-(4-chlorophenyl)-4-[4-(3-methylquinoxalin-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 108809896
1-phenyl-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 2977525
4-(4-phenylpiperazine-1-carbonyl)-1-(4-propan-2-ylphenyl)pyrrolidin-2-one
CID 113186685
4-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 17118563
(4S)-1-(4-methylphenyl)-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 9242636

Frequently Asked Questions

What is the IUPAC name of 1-(4-pyrrolidin-1-ylphenyl)-4-(4-quinoxalin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-(4-pyrrolidin-1-ylphenyl)-4-(4-quinoxalin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one (CID 108741423) is 1-(4-pyrrolidin-1-ylphenyl)-4-(4-quinoxalin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(4-pyrrolidin-1-ylphenyl)-4-(4-quinoxalin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-(4-pyrrolidin-1-ylphenyl)-4-(4-quinoxalin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one is O=C(C1CC(=O)N(c2ccc(N3CCCC3)cc2)C1)N1CCN(c2cnc3ccccc3n2)CC1.
What is the InChIKey of 1-(4-pyrrolidin-1-ylphenyl)-4-(4-quinoxalin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one?
The InChIKey is RYONARRQUWDPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O2/c34-26-17-20(19-33(26)22-9-7-21(8-10-22)30-11-3-4-12-30)27(35)32-15-13-31(14-16-32)25-18-28-23-5-1-2-6-24(23)29-25/h1-2,5-10,18,20H,3-4,11-17,19H2.
What are the key properties of 1-(4-pyrrolidin-1-ylphenyl)-4-(4-quinoxalin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one?
1-(4-pyrrolidin-1-ylphenyl)-4-(4-quinoxalin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one has a molecular weight of 470.58 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-pyrrolidin-1-ylphenyl)-4-(4-quinoxalin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 108741423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).