5-[4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutyl]pyrrolo[1,2-a]quinoxalin-4-one

C25H25ClN4O2 — CID 22522580

IUPAC5-[4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutyl]pyrrolo[1,2-a]quinoxalin-4-one
SMILESO=C(CCCn1c(=O)c2cccn2c2ccccc21)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C25H25ClN4O2/c26-19-6-3-7-20(18-19)27-14-16-28(17-15-27)24(31)11-5-13-30-22-9-2-1-8-21(22)29-12-4-10-23(29)25(30)32/h1-4,6-10,12,18H,5,11,13-17H2
InChIKeyRFMAUZLGCBAFSX-UHFFFAOYSA-N
MW448.95 g/mol
LogP4.04
Rot. Bonds5

About 5-[4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutyl]pyrrolo[1,2-a]quinoxalin-4-one

5-[4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutyl]pyrrolo[1,2-a]quinoxalin-4-one (PubChem CID 22522580) has the molecular formula C25H25ClN4O2 and a molecular weight of 448.95 g/mol. Its IUPAC name is 5-[4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutyl]pyrrolo[1,2-a]quinoxalin-4-one.

Molecular Properties

Compound Name5-[4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutyl]pyrrolo[1,2-a]quinoxalin-4-one
PubChem CID22522580
Molecular FormulaC25H25ClN4O2
Molecular Weight448.95 g/mol
Exact Mass448.17
IUPAC Name5-[4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutyl]pyrrolo[1,2-a]quinoxalin-4-one
SMILESO=C(CCCn1c(=O)c2cccn2c2ccccc21)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C25H25ClN4O2/c26-19-6-3-7-20(18-19)27-14-16-28(17-15-27)24(31)11-5-13-30-22-9-2-1-8-21(22)29-12-4-10-23(29)25(30)32/h1-4,6-10,12,18H,5,11,13-17H2
InChIKeyRFMAUZLGCBAFSX-UHFFFAOYSA-N
XLogP4.04
TPSA49.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.95
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutyl]pyrrolo[1,2-a]quinoxalin-4-one with MolForge

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Related Compounds

5-[4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butyl]pyrrolo[1,2-a]quinoxalin-4-one
CID 22522590
5-[4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutyl]-3-methylpyridazino[4,5-b]indol-4-one
CID 53022856
1-[4-(3-chlorophenyl)piperazin-1-yl]-5-hydroxypentan-1-one
CID 79016503
1-[4-(3-chlorophenyl)piperazin-1-yl]-5-phenylpentane-1,5-dione
CID 20969074
4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutanoic acid
CID 851796
N-[(4-chlorophenyl)methyl]-4-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide
CID 22522604
2-[4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutyl]-6-phenylpyridazin-3-one
CID 16884417
1-[4-(3-chlorophenyl)piperazin-1-yl]-3-phenothiazin-10-ylpropan-1-one
CID 3618760
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide
CID 22522650
8-[[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]methyl]-2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one
CID 46328093
3-(4-benzylpiperazin-1-yl)-1-[4-(3-chlorophenyl)piperazin-1-yl]propan-1-one
CID 155565209
3-[6-[4-(3-chlorophenyl)piperazin-1-yl]-6-oxohexyl]-6,7-dimethoxy-1H-quinazoline-2,4-dione
CID 22423344

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutyl]pyrrolo[1,2-a]quinoxalin-4-one?
The IUPAC name of 5-[4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutyl]pyrrolo[1,2-a]quinoxalin-4-one (CID 22522580) is 5-[4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutyl]pyrrolo[1,2-a]quinoxalin-4-one.
What is the SMILES notation for 5-[4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutyl]pyrrolo[1,2-a]quinoxalin-4-one?
The canonical SMILES for 5-[4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutyl]pyrrolo[1,2-a]quinoxalin-4-one is O=C(CCCn1c(=O)c2cccn2c2ccccc21)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 5-[4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutyl]pyrrolo[1,2-a]quinoxalin-4-one?
The InChIKey is RFMAUZLGCBAFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN4O2/c26-19-6-3-7-20(18-19)27-14-16-28(17-15-27)24(31)11-5-13-30-22-9-2-1-8-21(22)29-12-4-10-23(29)25(30)32/h1-4,6-10,12,18H,5,11,13-17H2.
What are the key properties of 5-[4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutyl]pyrrolo[1,2-a]quinoxalin-4-one?
5-[4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutyl]pyrrolo[1,2-a]quinoxalin-4-one has a molecular weight of 448.95 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutyl]pyrrolo[1,2-a]quinoxalin-4-one is sourced from PubChem (CID 22522580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).