[2-(ethoxymethyl)-1-[2-methyl-2-(4-pyrrolidin-1-ylbutoxy)propyl]imidazo[4,5-c]quinolin-4-yl]azanide;palladium

C25H36N5O2Pd- — CID 171561004

IUPAC[2-(ethoxymethyl)-1-[2-methyl-2-(4-pyrrolidin-1-ylbutoxy)propyl]imidazo[4,5-c]quinolin-4-yl]azanide;palladium
SMILESCCOCc1nc2c([NH-])nc3ccccc3c2n1CC(C)(C)OCCCCN1CCCC1.[Pd]
InChIInChI=1S/C25H36N5O2.Pd/c1-4-31-17-21-28-22-23(19-11-5-6-12-20(19)27-24(22)26)30(21)18-25(2,3)32-16-10-9-15-29-13-7-8-14-29;/h5-6,11-12H,4,7-10,13-18H2,1-3H3,(H-,26,27);/q-1;
InChIKeyQBVUUPHTEQNSNV-UHFFFAOYSA-N
MW545.02 g/mol
LogP5.47
Rot. Bonds11

About [2-(ethoxymethyl)-1-[2-methyl-2-(4-pyrrolidin-1-ylbutoxy)propyl]imidazo[4,5-c]quinolin-4-yl]azanide;palladium

[2-(ethoxymethyl)-1-[2-methyl-2-(4-pyrrolidin-1-ylbutoxy)propyl]imidazo[4,5-c]quinolin-4-yl]azanide;palladium (PubChem CID 171561004) has the molecular formula C25H36N5O2Pd- and a molecular weight of 545.02 g/mol. Its IUPAC name is [2-(ethoxymethyl)-1-[2-methyl-2-(4-pyrrolidin-1-ylbutoxy)propyl]imidazo[4,5-c]quinolin-4-yl]azanide;palladium.

Molecular Properties

Compound Name[2-(ethoxymethyl)-1-[2-methyl-2-(4-pyrrolidin-1-ylbutoxy)propyl]imidazo[4,5-c]quinolin-4-yl]azanide;palladium
PubChem CID171561004
Molecular FormulaC25H36N5O2Pd-
Molecular Weight545.02 g/mol
Exact Mass544.19
IUPAC Name[2-(ethoxymethyl)-1-[2-methyl-2-(4-pyrrolidin-1-ylbutoxy)propyl]imidazo[4,5-c]quinolin-4-yl]azanide;palladium
SMILESCCOCc1nc2c([NH-])nc3ccccc3c2n1CC(C)(C)OCCCCN1CCCC1.[Pd]
InChIInChI=1S/C25H36N5O2.Pd/c1-4-31-17-21-28-22-23(19-11-5-6-12-20(19)27-24(22)26)30(21)18-25(2,3)32-16-10-9-15-29-13-7-8-14-29;/h5-6,11-12H,4,7-10,13-18H2,1-3H3,(H-,26,27);/q-1;
InChIKeyQBVUUPHTEQNSNV-UHFFFAOYSA-N
XLogP5.47
TPSA76.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.02
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[1-[2-(4-aminobutoxy)-2-methylpropyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-yl]azanide;palladium
CID 171560989
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
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
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]-3-methylbutanamide
CID 138719996
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
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
1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol chloride
CID 76902470
1-[2-(ethoxymethyl)-4-(2-methylpropyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol
CID 163528617
3-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]propane-1-sulfonamide
CID 68996460
1-(3-aminopropyl)-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine
CID 22344434
2-(ethoxymethyl)-1-ethylimidazo[4,5-c]quinolin-4-amine
CID 122646444

Frequently Asked Questions

What is the IUPAC name of [2-(ethoxymethyl)-1-[2-methyl-2-(4-pyrrolidin-1-ylbutoxy)propyl]imidazo[4,5-c]quinolin-4-yl]azanide;palladium?
The IUPAC name of [2-(ethoxymethyl)-1-[2-methyl-2-(4-pyrrolidin-1-ylbutoxy)propyl]imidazo[4,5-c]quinolin-4-yl]azanide;palladium (CID 171561004) is [2-(ethoxymethyl)-1-[2-methyl-2-(4-pyrrolidin-1-ylbutoxy)propyl]imidazo[4,5-c]quinolin-4-yl]azanide;palladium.
What is the SMILES notation for [2-(ethoxymethyl)-1-[2-methyl-2-(4-pyrrolidin-1-ylbutoxy)propyl]imidazo[4,5-c]quinolin-4-yl]azanide;palladium?
The canonical SMILES for [2-(ethoxymethyl)-1-[2-methyl-2-(4-pyrrolidin-1-ylbutoxy)propyl]imidazo[4,5-c]quinolin-4-yl]azanide;palladium is CCOCc1nc2c([NH-])nc3ccccc3c2n1CC(C)(C)OCCCCN1CCCC1.[Pd].
What is the InChIKey of [2-(ethoxymethyl)-1-[2-methyl-2-(4-pyrrolidin-1-ylbutoxy)propyl]imidazo[4,5-c]quinolin-4-yl]azanide;palladium?
The InChIKey is QBVUUPHTEQNSNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N5O2.Pd/c1-4-31-17-21-28-22-23(19-11-5-6-12-20(19)27-24(22)26)30(21)18-25(2,3)32-16-10-9-15-29-13-7-8-14-29;/h5-6,11-12H,4,7-10,13-18H2,1-3H3,(H-,26,27);/q-1;.
What are the key properties of [2-(ethoxymethyl)-1-[2-methyl-2-(4-pyrrolidin-1-ylbutoxy)propyl]imidazo[4,5-c]quinolin-4-yl]azanide;palladium?
[2-(ethoxymethyl)-1-[2-methyl-2-(4-pyrrolidin-1-ylbutoxy)propyl]imidazo[4,5-c]quinolin-4-yl]azanide;palladium has a molecular weight of 545.02 g/mol, XLogP of 5.47, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethoxymethyl)-1-[2-methyl-2-(4-pyrrolidin-1-ylbutoxy)propyl]imidazo[4,5-c]quinolin-4-yl]azanide;palladium is sourced from PubChem (CID 171561004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).