5-[3-(4-pyrimidin-5-ylpiperazin-1-yl)propyl]pyrrolo[1,2-a]quinoxalin-4-one

C22H24N6O — CID 135371809

IUPAC5-[3-(4-pyrimidin-5-ylpiperazin-1-yl)propyl]pyrrolo[1,2-a]quinoxalin-4-one
SMILESO=c1c2cccn2c2ccccc2n1CCCN1CCN(c2cncnc2)CC1
InChIInChI=1S/C22H24N6O/c29-22-21-7-3-9-27(21)19-5-1-2-6-20(19)28(22)10-4-8-25-11-13-26(14-12-25)18-15-23-17-24-16-18/h1-3,5-7,9,15-17H,4,8,10-14H2
InChIKeyIDPDKVDRZJNPGK-UHFFFAOYSA-N
MW388.47 g/mol
LogP2.26
Rot. Bonds5

About 5-[3-(4-pyrimidin-5-ylpiperazin-1-yl)propyl]pyrrolo[1,2-a]quinoxalin-4-one

5-[3-(4-pyrimidin-5-ylpiperazin-1-yl)propyl]pyrrolo[1,2-a]quinoxalin-4-one (PubChem CID 135371809) has the molecular formula C22H24N6O and a molecular weight of 388.47 g/mol. Its IUPAC name is 5-[3-(4-pyrimidin-5-ylpiperazin-1-yl)propyl]pyrrolo[1,2-a]quinoxalin-4-one.

Molecular Properties

Compound Name5-[3-(4-pyrimidin-5-ylpiperazin-1-yl)propyl]pyrrolo[1,2-a]quinoxalin-4-one
PubChem CID135371809
Molecular FormulaC22H24N6O
Molecular Weight388.47 g/mol
Exact Mass388.20
IUPAC Name5-[3-(4-pyrimidin-5-ylpiperazin-1-yl)propyl]pyrrolo[1,2-a]quinoxalin-4-one
SMILESO=c1c2cccn2c2ccccc2n1CCCN1CCN(c2cncnc2)CC1
InChIInChI=1S/C22H24N6O/c29-22-21-7-3-9-27(21)19-5-1-2-6-20(19)28(22)10-4-8-25-11-13-26(14-12-25)18-15-23-17-24-16-18/h1-3,5-7,9,15-17H,4,8,10-14H2
InChIKeyIDPDKVDRZJNPGK-UHFFFAOYSA-N
XLogP2.26
TPSA58.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-pyrimidin-5-ylpiperazin-1-yl)propyl]pyrrolo[1,2-a]quinoxalin-4-one?
The IUPAC name of 5-[3-(4-pyrimidin-5-ylpiperazin-1-yl)propyl]pyrrolo[1,2-a]quinoxalin-4-one (CID 135371809) is 5-[3-(4-pyrimidin-5-ylpiperazin-1-yl)propyl]pyrrolo[1,2-a]quinoxalin-4-one.
What is the SMILES notation for 5-[3-(4-pyrimidin-5-ylpiperazin-1-yl)propyl]pyrrolo[1,2-a]quinoxalin-4-one?
The canonical SMILES for 5-[3-(4-pyrimidin-5-ylpiperazin-1-yl)propyl]pyrrolo[1,2-a]quinoxalin-4-one is O=c1c2cccn2c2ccccc2n1CCCN1CCN(c2cncnc2)CC1.
What is the InChIKey of 5-[3-(4-pyrimidin-5-ylpiperazin-1-yl)propyl]pyrrolo[1,2-a]quinoxalin-4-one?
The InChIKey is IDPDKVDRZJNPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O/c29-22-21-7-3-9-27(21)19-5-1-2-6-20(19)28(22)10-4-8-25-11-13-26(14-12-25)18-15-23-17-24-16-18/h1-3,5-7,9,15-17H,4,8,10-14H2.
What are the key properties of 5-[3-(4-pyrimidin-5-ylpiperazin-1-yl)propyl]pyrrolo[1,2-a]quinoxalin-4-one?
5-[3-(4-pyrimidin-5-ylpiperazin-1-yl)propyl]pyrrolo[1,2-a]quinoxalin-4-one has a molecular weight of 388.47 g/mol, XLogP of 2.26, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-pyrimidin-5-ylpiperazin-1-yl)propyl]pyrrolo[1,2-a]quinoxalin-4-one is sourced from PubChem (CID 135371809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).