2-(4-phenylpiperazine-1-carbonyl)-5-propylpyrazolo[1,5-a]quinoxalin-4-one

C24H25N5O2 — CID 53194342

IUPAC2-(4-phenylpiperazine-1-carbonyl)-5-propylpyrazolo[1,5-a]quinoxalin-4-one
SMILESCCCn1c(=O)c2cc(C(=O)N3CCN(c4ccccc4)CC3)nn2c2ccccc21
InChIInChI=1S/C24H25N5O2/c1-2-12-28-20-10-6-7-11-21(20)29-22(24(28)31)17-19(25-29)23(30)27-15-13-26(14-16-27)18-8-4-3-5-9-18/h3-11,17H,2,12-16H2,1H3
InChIKeyQKDRQPBZSXSADI-UHFFFAOYSA-N
MW415.50 g/mol
LogP3.02
Rot. Bonds4

About 2-(4-phenylpiperazine-1-carbonyl)-5-propylpyrazolo[1,5-a]quinoxalin-4-one

2-(4-phenylpiperazine-1-carbonyl)-5-propylpyrazolo[1,5-a]quinoxalin-4-one (PubChem CID 53194342) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is 2-(4-phenylpiperazine-1-carbonyl)-5-propylpyrazolo[1,5-a]quinoxalin-4-one.

Molecular Properties

Compound Name2-(4-phenylpiperazine-1-carbonyl)-5-propylpyrazolo[1,5-a]quinoxalin-4-one
PubChem CID53194342
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC Name2-(4-phenylpiperazine-1-carbonyl)-5-propylpyrazolo[1,5-a]quinoxalin-4-one
SMILESCCCn1c(=O)c2cc(C(=O)N3CCN(c4ccccc4)CC3)nn2c2ccccc21
InChIInChI=1S/C24H25N5O2/c1-2-12-28-20-10-6-7-11-21(20)29-22(24(28)31)17-19(25-29)23(30)27-15-13-26(14-16-27)18-8-4-3-5-9-18/h3-11,17H,2,12-16H2,1H3
InChIKeyQKDRQPBZSXSADI-UHFFFAOYSA-N
XLogP3.02
TPSA62.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-phenylpiperazin-1-yl)-(1-propylpyrazol-3-yl)methanone
CID 35325179
1-methyl-3-(4-phenylpiperazine-1-carbonyl)quinoxalin-2-one
CID 46365024
2-methyl-5-(4-phenylpiperazine-1-carbonyl)-4H-1,2,4-triazol-3-one
CID 136849778
6-methyl-2-(4-phenylpiperazine-1-carbonyl)-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 91891167
3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-ethylquinoxalin-2-one
CID 50808145
[2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109367040
(4,7-dimethyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-yl)-(4-phenylpiperazin-1-yl)methanone
CID 66499434
[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109366887
[6-(dipropylamino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109352116
[4-(dipropylamino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109215179
3-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-1-propylquinoxalin-2-one
CID 53131490
5-methyl-3-(4-methylphenyl)-1-(4-phenylpiperazine-1-carbonyl)pyridazino[4,5-b]indol-4-one
CID 20856106

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylpiperazine-1-carbonyl)-5-propylpyrazolo[1,5-a]quinoxalin-4-one?
The IUPAC name of 2-(4-phenylpiperazine-1-carbonyl)-5-propylpyrazolo[1,5-a]quinoxalin-4-one (CID 53194342) is 2-(4-phenylpiperazine-1-carbonyl)-5-propylpyrazolo[1,5-a]quinoxalin-4-one.
What is the SMILES notation for 2-(4-phenylpiperazine-1-carbonyl)-5-propylpyrazolo[1,5-a]quinoxalin-4-one?
The canonical SMILES for 2-(4-phenylpiperazine-1-carbonyl)-5-propylpyrazolo[1,5-a]quinoxalin-4-one is CCCn1c(=O)c2cc(C(=O)N3CCN(c4ccccc4)CC3)nn2c2ccccc21.
What is the InChIKey of 2-(4-phenylpiperazine-1-carbonyl)-5-propylpyrazolo[1,5-a]quinoxalin-4-one?
The InChIKey is QKDRQPBZSXSADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c1-2-12-28-20-10-6-7-11-21(20)29-22(24(28)31)17-19(25-29)23(30)27-15-13-26(14-16-27)18-8-4-3-5-9-18/h3-11,17H,2,12-16H2,1H3.
What are the key properties of 2-(4-phenylpiperazine-1-carbonyl)-5-propylpyrazolo[1,5-a]quinoxalin-4-one?
2-(4-phenylpiperazine-1-carbonyl)-5-propylpyrazolo[1,5-a]quinoxalin-4-one has a molecular weight of 415.50 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylpiperazine-1-carbonyl)-5-propylpyrazolo[1,5-a]quinoxalin-4-one is sourced from PubChem (CID 53194342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).