1-[(E)-4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)but-2-enyl]piperazin-2-one

C22H28N6O — CID 169260485

IUPAC1-[(E)-4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)but-2-enyl]piperazin-2-one
SMILESCCCCc1nc2c(N)nc3ccccc3c2n1C/C=C/CN1CCNCC1=O
InChIInChI=1S/C22H28N6O/c1-2-3-10-18-26-20-21(16-8-4-5-9-17(16)25-22(20)23)28(18)13-7-6-12-27-14-11-24-15-19(27)29/h4-9,24H,2-3,10-15H2,1H3,(H2,23,25)/b7-6+
InChIKeyJHYRNXYDLNXBNW-VOTSOKGWSA-N
MW392.51 g/mol
LogP2.50
Rot. Bonds7

About 1-[(E)-4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)but-2-enyl]piperazin-2-one

1-[(E)-4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)but-2-enyl]piperazin-2-one (PubChem CID 169260485) has the molecular formula C22H28N6O and a molecular weight of 392.51 g/mol. Its IUPAC name is 1-[(E)-4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)but-2-enyl]piperazin-2-one.

Molecular Properties

Compound Name1-[(E)-4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)but-2-enyl]piperazin-2-one
PubChem CID169260485
Molecular FormulaC22H28N6O
Molecular Weight392.51 g/mol
Exact Mass392.23
IUPAC Name1-[(E)-4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)but-2-enyl]piperazin-2-one
SMILESCCCCc1nc2c(N)nc3ccccc3c2n1C/C=C/CN1CCNCC1=O
InChIInChI=1S/C22H28N6O/c1-2-3-10-18-26-20-21(16-8-4-5-9-17(16)25-22(20)23)28(18)13-7-6-12-27-14-11-24-15-19(27)29/h4-9,24H,2-3,10-15H2,1H3,(H2,23,25)/b7-6+
InChIKeyJHYRNXYDLNXBNW-VOTSOKGWSA-N
XLogP2.50
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.51
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[(E)-4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)but-2-enyl]piperazin-2-one with MolForge

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Related Compounds

N-[(E)-4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)but-2-enyl]-2-hydroxy-N-piperidin-4-ylacetamide
CID 177290932
1-[(E)-4-(1-adamantylmethylamino)but-2-enyl]-2-butylimidazo[4,5-c]quinolin-4-amine
CID 177290907
2-butyl-1-hexylimidazo[4,5-c]quinolin-4-amine
CID 157447950
3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropane-1-thiol
CID 166933556
2-butyl-1-(2,2-dimethylpentyl)imidazo[4,5-c]quinolin-4-amine
CID 170078321
2-butyl-1-[(4-ethylphenyl)methyl]imidazo[4,5-c]quinolin-4-amine
CID 134510359
1-(2-methylpropyl)-2-pentylimidazo[4,5-c]quinolin-4-amine
CID 11185992
2-butyl-1-[(E)-4-(1-pyridin-3-ylethylamino)but-2-enyl]imidazo[4,5-c]quinolin-4-amine
CID 177290926
2-butyl-1-[4-(methoxyamino)pent-3-enyl]imidazo[4,5-c]quinolin-4-amine
CID 90787884
2-heptyl-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine
CID 11739260
2-butyl-1-[(4Z)-4-methoxyiminobutyl]imidazo[4,5-c]quinolin-4-amine
CID 87867716
[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropyl] formate
CID 169015832

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)but-2-enyl]piperazin-2-one?
The IUPAC name of 1-[(E)-4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)but-2-enyl]piperazin-2-one (CID 169260485) is 1-[(E)-4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)but-2-enyl]piperazin-2-one.
What is the SMILES notation for 1-[(E)-4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)but-2-enyl]piperazin-2-one?
The canonical SMILES for 1-[(E)-4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)but-2-enyl]piperazin-2-one is CCCCc1nc2c(N)nc3ccccc3c2n1C/C=C/CN1CCNCC1=O.
What is the InChIKey of 1-[(E)-4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)but-2-enyl]piperazin-2-one?
The InChIKey is JHYRNXYDLNXBNW-VOTSOKGWSA-N. The full InChI is InChI=1S/C22H28N6O/c1-2-3-10-18-26-20-21(16-8-4-5-9-17(16)25-22(20)23)28(18)13-7-6-12-27-14-11-24-15-19(27)29/h4-9,24H,2-3,10-15H2,1H3,(H2,23,25)/b7-6+.
What are the key properties of 1-[(E)-4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)but-2-enyl]piperazin-2-one?
1-[(E)-4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)but-2-enyl]piperazin-2-one has a molecular weight of 392.51 g/mol, XLogP of 2.50, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)but-2-enyl]piperazin-2-one is sourced from PubChem (CID 169260485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).