2-(butylamino)-1-[(4R)-4-(4-chlorophenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]ethanone

C23H24ClN3O — CID 7306865

IUPAC2-(butylamino)-1-[(4R)-4-(4-chlorophenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]ethanone
SMILESCCCCNCC(=O)N1c2ccccc2-n2cccc2[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C23H24ClN3O/c1-2-3-14-25-16-22(28)27-20-8-5-4-7-19(20)26-15-6-9-21(26)23(27)17-10-12-18(24)13-11-17/h4-13,15,23,25H,2-3,14,16H2,1H3/t23-/m1/s1
InChIKeyYICIOWWMICPRAR-HSZRJFAPSA-N
MW393.92 g/mol
LogP4.96
Rot. Bonds6

About 2-(butylamino)-1-[(4R)-4-(4-chlorophenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]ethanone

2-(butylamino)-1-[(4R)-4-(4-chlorophenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]ethanone (PubChem CID 7306865) has the molecular formula C23H24ClN3O and a molecular weight of 393.92 g/mol. Its IUPAC name is 2-(butylamino)-1-[(4R)-4-(4-chlorophenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]ethanone.

Molecular Properties

Compound Name2-(butylamino)-1-[(4R)-4-(4-chlorophenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]ethanone
PubChem CID7306865
Molecular FormulaC23H24ClN3O
Molecular Weight393.92 g/mol
Exact Mass393.16
IUPAC Name2-(butylamino)-1-[(4R)-4-(4-chlorophenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]ethanone
SMILESCCCCNCC(=O)N1c2ccccc2-n2cccc2[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C23H24ClN3O/c1-2-3-14-25-16-22(28)27-20-8-5-4-7-19(20)26-15-6-9-21(26)23(27)17-10-12-18(24)13-11-17/h4-13,15,23,25H,2-3,14,16H2,1H3/t23-/m1/s1
InChIKeyYICIOWWMICPRAR-HSZRJFAPSA-N
XLogP4.96
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.92
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(butylamino)-1-[(4R)-4-(4-chlorophenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-dibutyl-1-[2-[4-(4-chlorophenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]urea
CID 42752467
N-butyl-4-chloro-N-[2-[4-(4-chlorophenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]benzamide
CID 5170715
1-butyl-1-[2-[(4S)-4-(4-chlorophenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-3-(2-methylphenyl)urea
CID 93097810
3-(4-bromophenyl)-1-butyl-1-[2-[(4S)-4-(4-chlorophenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]urea
CID 98407448
1-butyl-1-[2-[4-(4-chlorophenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-3-(2-fluorophenyl)urea
CID 3537236
N-butyl-N-[2-[4-(4-chlorophenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-2-(4-fluorophenyl)acetamide
CID 4553726
3-(3-bromophenyl)-1-butyl-1-[2-[4-(4-chlorophenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]urea
CID 42659685
N-butyl-N-[2-[4-(4-chlorophenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-2-methoxybenzamide
CID 4038873
1-butyl-1-[2-[4-(4-chlorophenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-3-(2,4-dimethylphenyl)urea
CID 42660325
1-[4-(3-chlorophenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-(propan-2-ylamino)ethanone
CID 3943334
ethyl 4-[[butyl-[2-[4-(4-chlorophenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]carbamoyl]amino]benzoate
CID 42659682
1-butyl-1-[2-[4-(4-chlorophenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-3-(3-methoxyphenyl)urea
CID 42659690

Frequently Asked Questions

What is the IUPAC name of 2-(butylamino)-1-[(4R)-4-(4-chlorophenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]ethanone?
The IUPAC name of 2-(butylamino)-1-[(4R)-4-(4-chlorophenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]ethanone (CID 7306865) is 2-(butylamino)-1-[(4R)-4-(4-chlorophenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]ethanone.
What is the SMILES notation for 2-(butylamino)-1-[(4R)-4-(4-chlorophenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]ethanone?
The canonical SMILES for 2-(butylamino)-1-[(4R)-4-(4-chlorophenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]ethanone is CCCCNCC(=O)N1c2ccccc2-n2cccc2[C@H]1c1ccc(Cl)cc1.
What is the InChIKey of 2-(butylamino)-1-[(4R)-4-(4-chlorophenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]ethanone?
The InChIKey is YICIOWWMICPRAR-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H24ClN3O/c1-2-3-14-25-16-22(28)27-20-8-5-4-7-19(20)26-15-6-9-21(26)23(27)17-10-12-18(24)13-11-17/h4-13,15,23,25H,2-3,14,16H2,1H3/t23-/m1/s1.
What are the key properties of 2-(butylamino)-1-[(4R)-4-(4-chlorophenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]ethanone?
2-(butylamino)-1-[(4R)-4-(4-chlorophenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]ethanone has a molecular weight of 393.92 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylamino)-1-[(4R)-4-(4-chlorophenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]ethanone is sourced from PubChem (CID 7306865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).