5-[4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butyl]pyrrolo[1,2-a]quinoxalin-4-one

C24H25N5O2 — CID 22522590

IUPAC5-[4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butyl]pyrrolo[1,2-a]quinoxalin-4-one
SMILESO=C(CCCn1c(=O)c2cccn2c2ccccc21)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C24H25N5O2/c30-23(27-17-15-26(16-18-27)22-10-3-4-12-25-22)11-6-14-29-20-8-2-1-7-19(20)28-13-5-9-21(28)24(29)31/h1-5,7-10,12-13H,6,11,14-18H2
InChIKeyFKVAHIFCSGQBTI-UHFFFAOYSA-N
MW415.50 g/mol
LogP2.78
Rot. Bonds5

About 5-[4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butyl]pyrrolo[1,2-a]quinoxalin-4-one

5-[4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butyl]pyrrolo[1,2-a]quinoxalin-4-one (PubChem CID 22522590) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is 5-[4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butyl]pyrrolo[1,2-a]quinoxalin-4-one.

Molecular Properties

Compound Name5-[4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butyl]pyrrolo[1,2-a]quinoxalin-4-one
PubChem CID22522590
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC Name5-[4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butyl]pyrrolo[1,2-a]quinoxalin-4-one
SMILESO=C(CCCn1c(=O)c2cccn2c2ccccc21)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C24H25N5O2/c30-23(27-17-15-26(16-18-27)22-10-3-4-12-25-22)11-6-14-29-20-8-2-1-7-19(20)28-13-5-9-21(28)24(29)31/h1-5,7-10,12-13H,6,11,14-18H2
InChIKeyFKVAHIFCSGQBTI-UHFFFAOYSA-N
XLogP2.78
TPSA62.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butyl]pyrrolo[1,2-a]quinoxalin-4-one with MolForge

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Related Compounds

5-[4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutyl]pyrrolo[1,2-a]quinoxalin-4-one
CID 22522580
4-amino-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
CID 22692257
1-methyl-3-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzimidazol-2-one
CID 51320635
7-bromo-5-[4-(4-methylpiperazin-1-yl)-4-oxobutyl]pyrrolo[1,2-a]quinoxalin-4-one
CID 50756999
1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 18714915
8-[3-(azepan-1-yl)-3-oxopropyl]-2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one
CID 45106537
3-[(3S)-3-hydroxypyrrolidin-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 111123056
(3aS,7aS)-2-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 7974830
(3aS,7aS)-2-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 92543665
8-[3-oxo-3-(4-propylpiperazin-1-yl)propyl]-2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one
CID 24791943
1,2-bis(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 2813993
[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 3-(4-butyl-3-oxoquinoxalin-2-yl)propanoate
CID 16610750

Frequently Asked Questions

What is the IUPAC name of 5-[4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butyl]pyrrolo[1,2-a]quinoxalin-4-one?
The IUPAC name of 5-[4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butyl]pyrrolo[1,2-a]quinoxalin-4-one (CID 22522590) is 5-[4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butyl]pyrrolo[1,2-a]quinoxalin-4-one.
What is the SMILES notation for 5-[4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butyl]pyrrolo[1,2-a]quinoxalin-4-one?
The canonical SMILES for 5-[4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butyl]pyrrolo[1,2-a]quinoxalin-4-one is O=C(CCCn1c(=O)c2cccn2c2ccccc21)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 5-[4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butyl]pyrrolo[1,2-a]quinoxalin-4-one?
The InChIKey is FKVAHIFCSGQBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c30-23(27-17-15-26(16-18-27)22-10-3-4-12-25-22)11-6-14-29-20-8-2-1-7-19(20)28-13-5-9-21(28)24(29)31/h1-5,7-10,12-13H,6,11,14-18H2.
What are the key properties of 5-[4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butyl]pyrrolo[1,2-a]quinoxalin-4-one?
5-[4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butyl]pyrrolo[1,2-a]quinoxalin-4-one has a molecular weight of 415.50 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butyl]pyrrolo[1,2-a]quinoxalin-4-one is sourced from PubChem (CID 22522590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).