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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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).