N-[(E)-4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)but-2-enyl]-2-hydroxy-N-piperidin-4-ylacetamide

C25H34N6O2 — CID 177290932

IUPACN-[(E)-4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)but-2-enyl]-2-hydroxy-N-piperidin-4-ylacetamide
SMILESCCCCc1nc2c(N)nc3ccccc3c2n1C/C=C/CN(C(=O)CO)C1CCNCC1
InChIInChI=1S/C25H34N6O2/c1-2-3-10-21-29-23-24(19-8-4-5-9-20(19)28-25(23)26)31(21)16-7-6-15-30(22(33)17-32)18-11-13-27-14-12-18/h4-9,18,27,32H,2-3,10-17H2,1H3,(H2,26,28)/b7-6+
InChIKeyOKBPAZLJKCRSGC-VOTSOKGWSA-N
MW450.59 g/mol
LogP2.64
Rot. Bonds9

About N-[(E)-4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)but-2-enyl]-2-hydroxy-N-piperidin-4-ylacetamide

N-[(E)-4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)but-2-enyl]-2-hydroxy-N-piperidin-4-ylacetamide (PubChem CID 177290932) has the molecular formula C25H34N6O2 and a molecular weight of 450.59 g/mol. Its IUPAC name is N-[(E)-4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)but-2-enyl]-2-hydroxy-N-piperidin-4-ylacetamide.

Molecular Properties

Compound NameN-[(E)-4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)but-2-enyl]-2-hydroxy-N-piperidin-4-ylacetamide
PubChem CID177290932
Molecular FormulaC25H34N6O2
Molecular Weight450.59 g/mol
Exact Mass450.27
IUPAC NameN-[(E)-4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)but-2-enyl]-2-hydroxy-N-piperidin-4-ylacetamide
SMILESCCCCc1nc2c(N)nc3ccccc3c2n1C/C=C/CN(C(=O)CO)C1CCNCC1
InChIInChI=1S/C25H34N6O2/c1-2-3-10-21-29-23-24(19-8-4-5-9-20(19)28-25(23)26)31(21)16-7-6-15-30(22(33)17-32)18-11-13-27-14-12-18/h4-9,18,27,32H,2-3,10-17H2,1H3,(H2,26,28)/b7-6+
InChIKeyOKBPAZLJKCRSGC-VOTSOKGWSA-N
XLogP2.64
TPSA109.30 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.59
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)but-2-enyl]piperazin-2-one
CID 169260485
2-butyl-1-hexylimidazo[4,5-c]quinolin-4-amine
CID 157447950
1-[(E)-4-(1-adamantylmethylamino)but-2-enyl]-2-butylimidazo[4,5-c]quinolin-4-amine
CID 177290907
[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]methanol
CID 138457331
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
1-N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-4-N-oxocyclohexane-1,4-dicarboxamide
CID 167295967
N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]-N-tert-butylhexadecanamide
CID 138645202
N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]-N-tert-butyloctadecanamide
CID 138645359
2-butyl-1-(2,2-dimethylpentyl)imidazo[4,5-c]quinolin-4-amine
CID 170078321
1-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethyl]-3-benzylurea
CID 18616841
2-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]benzene-1,4-diol
CID 153143132

Frequently Asked Questions

What is the IUPAC name of N-[(E)-4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)but-2-enyl]-2-hydroxy-N-piperidin-4-ylacetamide?
The IUPAC name of N-[(E)-4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)but-2-enyl]-2-hydroxy-N-piperidin-4-ylacetamide (CID 177290932) is N-[(E)-4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)but-2-enyl]-2-hydroxy-N-piperidin-4-ylacetamide.
What is the SMILES notation for N-[(E)-4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)but-2-enyl]-2-hydroxy-N-piperidin-4-ylacetamide?
The canonical SMILES for N-[(E)-4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)but-2-enyl]-2-hydroxy-N-piperidin-4-ylacetamide is CCCCc1nc2c(N)nc3ccccc3c2n1C/C=C/CN(C(=O)CO)C1CCNCC1.
What is the InChIKey of N-[(E)-4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)but-2-enyl]-2-hydroxy-N-piperidin-4-ylacetamide?
The InChIKey is OKBPAZLJKCRSGC-VOTSOKGWSA-N. The full InChI is InChI=1S/C25H34N6O2/c1-2-3-10-21-29-23-24(19-8-4-5-9-20(19)28-25(23)26)31(21)16-7-6-15-30(22(33)17-32)18-11-13-27-14-12-18/h4-9,18,27,32H,2-3,10-17H2,1H3,(H2,26,28)/b7-6+.
What are the key properties of N-[(E)-4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)but-2-enyl]-2-hydroxy-N-piperidin-4-ylacetamide?
N-[(E)-4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)but-2-enyl]-2-hydroxy-N-piperidin-4-ylacetamide has a molecular weight of 450.59 g/mol, XLogP of 2.64, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)but-2-enyl]-2-hydroxy-N-piperidin-4-ylacetamide is sourced from PubChem (CID 177290932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).