[1-[2-(4-aminobutoxy)-2-methylpropyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-yl]azanide;palladium

C21H30N5O2Pd- — CID 171560989

IUPAC[1-[2-(4-aminobutoxy)-2-methylpropyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-yl]azanide;palladium
SMILESCCOCc1nc2c([NH-])nc3ccccc3c2n1CC(C)(C)OCCCCN.[Pd]
InChIInChI=1S/C21H30N5O2.Pd/c1-4-27-13-17-25-18-19(15-9-5-6-10-16(15)24-20(18)23)26(17)14-21(2,3)28-12-8-7-11-22;/h5-6,9-10H,4,7-8,11-14,22H2,1-3H3,(H-,23,24);/q-1;
InChIKeyLQDXAOGKDHNPPN-UHFFFAOYSA-N
MW490.92 g/mol
LogP4.34
Rot. Bonds10

About [1-[2-(4-aminobutoxy)-2-methylpropyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-yl]azanide;palladium

[1-[2-(4-aminobutoxy)-2-methylpropyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-yl]azanide;palladium (PubChem CID 171560989) has the molecular formula C21H30N5O2Pd- and a molecular weight of 490.92 g/mol. Its IUPAC name is [1-[2-(4-aminobutoxy)-2-methylpropyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-yl]azanide;palladium.

Molecular Properties

Compound Name[1-[2-(4-aminobutoxy)-2-methylpropyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-yl]azanide;palladium
PubChem CID171560989
Molecular FormulaC21H30N5O2Pd-
Molecular Weight490.92 g/mol
Exact Mass490.14
IUPAC Name[1-[2-(4-aminobutoxy)-2-methylpropyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-yl]azanide;palladium
SMILESCCOCc1nc2c([NH-])nc3ccccc3c2n1CC(C)(C)OCCCCN.[Pd]
InChIInChI=1S/C21H30N5O2.Pd/c1-4-27-13-17-25-18-19(15-9-5-6-10-16(15)24-20(18)23)26(17)14-21(2,3)28-12-8-7-11-22;/h5-6,9-10H,4,7-8,11-14,22H2,1-3H3,(H-,23,24);/q-1;
InChIKeyLQDXAOGKDHNPPN-UHFFFAOYSA-N
XLogP4.34
TPSA98.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.92
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[2-(ethoxymethyl)-1-[2-methyl-2-(4-pyrrolidin-1-ylbutoxy)propyl]imidazo[4,5-c]quinolin-4-yl]azanide;palladium
CID 171561004
O-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]hydroxylamine
CID 162361120
2-amino-N-[2-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]oxyethyl]-2-methylpropanamide
CID 138719993
1-(3-aminopropyl)-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine
CID 22344434
1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol chloride
CID 76902470
2-amino-N-[2-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]oxyethyl]-3-methylbutanamide
CID 138719996
benzyl N-[1-[2-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]oxyethylamino]-2-methyl-1-oxopropan-2-yl]carbamate
CID 146490380
tert-butyl N-[[1-[4-[1-[2-(ethoxymethyl)-4-(methylamino)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]oxybutyl]triazol-4-yl]methyl]carbamate
CID 171560959
2-(ethoxymethyl)-1-ethylimidazo[4,5-c]quinolin-4-amine
CID 122646444
N-[2-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]oxyethyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 171560982
1-[2-(ethoxymethyl)-4-(2-methylpropyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol
CID 163528617
1-[3-(dimethylaminosulfanyl)-2,2-dimethylpropyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine
CID 143077937

Frequently Asked Questions

What is the IUPAC name of [1-[2-(4-aminobutoxy)-2-methylpropyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-yl]azanide;palladium?
The IUPAC name of [1-[2-(4-aminobutoxy)-2-methylpropyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-yl]azanide;palladium (CID 171560989) is [1-[2-(4-aminobutoxy)-2-methylpropyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-yl]azanide;palladium.
What is the SMILES notation for [1-[2-(4-aminobutoxy)-2-methylpropyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-yl]azanide;palladium?
The canonical SMILES for [1-[2-(4-aminobutoxy)-2-methylpropyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-yl]azanide;palladium is CCOCc1nc2c([NH-])nc3ccccc3c2n1CC(C)(C)OCCCCN.[Pd].
What is the InChIKey of [1-[2-(4-aminobutoxy)-2-methylpropyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-yl]azanide;palladium?
The InChIKey is LQDXAOGKDHNPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N5O2.Pd/c1-4-27-13-17-25-18-19(15-9-5-6-10-16(15)24-20(18)23)26(17)14-21(2,3)28-12-8-7-11-22;/h5-6,9-10H,4,7-8,11-14,22H2,1-3H3,(H-,23,24);/q-1;.
What are the key properties of [1-[2-(4-aminobutoxy)-2-methylpropyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-yl]azanide;palladium?
[1-[2-(4-aminobutoxy)-2-methylpropyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-yl]azanide;palladium has a molecular weight of 490.92 g/mol, XLogP of 4.34, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(4-aminobutoxy)-2-methylpropyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-yl]azanide;palladium is sourced from PubChem (CID 171560989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).