1-[3-[4-amino-1-(4-aminobutyl)-2-(ethoxymethyl)imidazo[4,5-c]quinolin-7-yl]oxypropyl]pyrrolidin-2-one

C24H34N6O3 — CID 58833657

IUPAC1-[3-[4-amino-1-(4-aminobutyl)-2-(ethoxymethyl)imidazo[4,5-c]quinolin-7-yl]oxypropyl]pyrrolidin-2-one
SMILESCCOCc1nc2c(N)nc3cc(OCCCN4CCCC4=O)ccc3c2n1CCCCN
InChIInChI=1S/C24H34N6O3/c1-2-32-16-20-28-22-23(30(20)13-4-3-10-25)18-9-8-17(15-19(18)27-24(22)26)33-14-6-12-29-11-5-7-21(29)31/h8-9,15H,2-7,10-14,16,25H2,1H3,(H2,26,27)
InChIKeyJVPYIWCCRCNCOX-UHFFFAOYSA-N
MW454.58 g/mol
LogP2.83
Rot. Bonds12

About 1-[3-[4-amino-1-(4-aminobutyl)-2-(ethoxymethyl)imidazo[4,5-c]quinolin-7-yl]oxypropyl]pyrrolidin-2-one

1-[3-[4-amino-1-(4-aminobutyl)-2-(ethoxymethyl)imidazo[4,5-c]quinolin-7-yl]oxypropyl]pyrrolidin-2-one (PubChem CID 58833657) has the molecular formula C24H34N6O3 and a molecular weight of 454.58 g/mol. Its IUPAC name is 1-[3-[4-amino-1-(4-aminobutyl)-2-(ethoxymethyl)imidazo[4,5-c]quinolin-7-yl]oxypropyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[4-amino-1-(4-aminobutyl)-2-(ethoxymethyl)imidazo[4,5-c]quinolin-7-yl]oxypropyl]pyrrolidin-2-one
PubChem CID58833657
Molecular FormulaC24H34N6O3
Molecular Weight454.58 g/mol
Exact Mass454.27
IUPAC Name1-[3-[4-amino-1-(4-aminobutyl)-2-(ethoxymethyl)imidazo[4,5-c]quinolin-7-yl]oxypropyl]pyrrolidin-2-one
SMILESCCOCc1nc2c(N)nc3cc(OCCCN4CCCC4=O)ccc3c2n1CCCCN
InChIInChI=1S/C24H34N6O3/c1-2-32-16-20-28-22-23(30(20)13-4-3-10-25)18-9-8-17(15-19(18)27-24(22)26)33-14-6-12-29-11-5-7-21(29)31/h8-9,15H,2-7,10-14,16,25H2,1H3,(H2,26,27)
InChIKeyJVPYIWCCRCNCOX-UHFFFAOYSA-N
XLogP2.83
TPSA121.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.58
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

1-[3-[4-amino-1-(5-aminopentyl)-2-(ethoxymethyl)imidazo[4,5-c]quinolin-7-yl]oxypropyl]pyrrolidin-2-one;methanethiol
CID 143228029
1-[3-[4-amino-1-[4-(1,1-dihydroxy-1,2-thiazolidin-2-yl)butyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-7-yl]oxypropyl]pyrrolidin-2-one
CID 68968933
1-(4-aminobutyl)-7-benzyl-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine
CID 175941287
7-(2-aminoethoxy)-1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine
CID 68972938
1-[2-[4-amino-2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-7-yl]oxyethyl]-3-propan-2-ylurea
CID 58833647
7-(3-aminopropoxy)-1-(2-methylpropyl)-2-propylimidazo[4,5-c]quinolin-4-amine
CID 58833712
N-[4-amino-2-(ethoxymethyl)-1-(5-propan-2-yloxypentyl)imidazo[4,5-c]quinolin-7-yl]-2-methylpropanamide
CID 143283933
2-[4-amino-2-(ethoxymethyl)-1-propylimidazo[4,5-c]quinolin-8-yl]oxy-1-(1,1-dihydroxy-1,4-thiazinan-4-yl)ethanone
CID 68971443
2-[4-amino-2-(ethoxymethyl)-1-propylimidazo[4,5-c]quinolin-8-yl]oxy-1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone
CID 58833716
1-[3-[4-amino-2-(2-methoxyethyl)-8-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl]propyl]pyrrolidin-2-one
CID 66700243
3-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]propane-1-sulfonamide
CID 68996460
tert-butyl N-[3-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]propyl]carbamate
CID 10046489

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-amino-1-(4-aminobutyl)-2-(ethoxymethyl)imidazo[4,5-c]quinolin-7-yl]oxypropyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[4-amino-1-(4-aminobutyl)-2-(ethoxymethyl)imidazo[4,5-c]quinolin-7-yl]oxypropyl]pyrrolidin-2-one (CID 58833657) is 1-[3-[4-amino-1-(4-aminobutyl)-2-(ethoxymethyl)imidazo[4,5-c]quinolin-7-yl]oxypropyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[4-amino-1-(4-aminobutyl)-2-(ethoxymethyl)imidazo[4,5-c]quinolin-7-yl]oxypropyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[4-amino-1-(4-aminobutyl)-2-(ethoxymethyl)imidazo[4,5-c]quinolin-7-yl]oxypropyl]pyrrolidin-2-one is CCOCc1nc2c(N)nc3cc(OCCCN4CCCC4=O)ccc3c2n1CCCCN.
What is the InChIKey of 1-[3-[4-amino-1-(4-aminobutyl)-2-(ethoxymethyl)imidazo[4,5-c]quinolin-7-yl]oxypropyl]pyrrolidin-2-one?
The InChIKey is JVPYIWCCRCNCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N6O3/c1-2-32-16-20-28-22-23(30(20)13-4-3-10-25)18-9-8-17(15-19(18)27-24(22)26)33-14-6-12-29-11-5-7-21(29)31/h8-9,15H,2-7,10-14,16,25H2,1H3,(H2,26,27).
What are the key properties of 1-[3-[4-amino-1-(4-aminobutyl)-2-(ethoxymethyl)imidazo[4,5-c]quinolin-7-yl]oxypropyl]pyrrolidin-2-one?
1-[3-[4-amino-1-(4-aminobutyl)-2-(ethoxymethyl)imidazo[4,5-c]quinolin-7-yl]oxypropyl]pyrrolidin-2-one has a molecular weight of 454.58 g/mol, XLogP of 2.83, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-amino-1-(4-aminobutyl)-2-(ethoxymethyl)imidazo[4,5-c]quinolin-7-yl]oxypropyl]pyrrolidin-2-one is sourced from PubChem (CID 58833657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).