7-(3-aminopropoxy)-1-(2-methylpropyl)-2-propylimidazo[4,5-c]quinolin-4-amine

C20H29N5O — CID 58833712

IUPAC7-(3-aminopropoxy)-1-(2-methylpropyl)-2-propylimidazo[4,5-c]quinolin-4-amine
SMILESCCCc1nc2c(N)nc3cc(OCCCN)ccc3c2n1CC(C)C
InChIInChI=1S/C20H29N5O/c1-4-6-17-24-18-19(25(17)12-13(2)3)15-8-7-14(26-10-5-9-21)11-16(15)23-20(18)22/h7-8,11,13H,4-6,9-10,12,21H2,1-3H3,(H2,22,23)
InChIKeyBCIBQFLFQODTNU-UHFFFAOYSA-N
MW355.49 g/mol
LogP3.50
Rot. Bonds8

About 7-(3-aminopropoxy)-1-(2-methylpropyl)-2-propylimidazo[4,5-c]quinolin-4-amine

7-(3-aminopropoxy)-1-(2-methylpropyl)-2-propylimidazo[4,5-c]quinolin-4-amine (PubChem CID 58833712) has the molecular formula C20H29N5O and a molecular weight of 355.49 g/mol. Its IUPAC name is 7-(3-aminopropoxy)-1-(2-methylpropyl)-2-propylimidazo[4,5-c]quinolin-4-amine.

Molecular Properties

Compound Name7-(3-aminopropoxy)-1-(2-methylpropyl)-2-propylimidazo[4,5-c]quinolin-4-amine
PubChem CID58833712
Molecular FormulaC20H29N5O
Molecular Weight355.49 g/mol
Exact Mass355.24
IUPAC Name7-(3-aminopropoxy)-1-(2-methylpropyl)-2-propylimidazo[4,5-c]quinolin-4-amine
SMILESCCCc1nc2c(N)nc3cc(OCCCN)ccc3c2n1CC(C)C
InChIInChI=1S/C20H29N5O/c1-4-6-17-24-18-19(25(17)12-13(2)3)15-8-7-14(26-10-5-9-21)11-16(15)23-20(18)22/h7-8,11,13H,4-6,9-10,12,21H2,1-3H3,(H2,22,23)
InChIKeyBCIBQFLFQODTNU-UHFFFAOYSA-N
XLogP3.50
TPSA91.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

7-[(3,4-dichlorophenyl)methoxy]-1-(2-methylpropyl)-2-propylimidazo[4,5-c]quinolin-4-amine
CID 11351558
1-(2-methylpropyl)-2-propyl-7-[[4-(trifluoromethyl)phenyl]methoxy]imidazo[4,5-c]quinolin-4-amine
CID 11340046
N-[3-[4-amino-1-(2-methylpropyl)-2-propylimidazo[4,5-c]quinolin-7-yl]oxypropyl]cyclohexanecarboxamide
CID 11442679
2-(2-methoxyethyl)-1-(2-methylpropyl)-7-(2-pyrrol-1-ylethoxy)imidazo[4,5-c]quinolin-4-amine
CID 143012822
1-(2-methylpropyl)-2-propylimidazo[4,5-c]quinolin-4-amine
CID 11150246
1-(2-methylpropyl)-2-pentylimidazo[4,5-c]quinolin-4-amine
CID 11185992
2-heptyl-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine
CID 11739260
O-[3-(4-amino-7-bromo-2-propylimidazo[4,5-c]quinolin-1-yl)propyl]hydroxylamine
CID 68539386
N-[2-[4-amino-2-methyl-1-(2-methylpropyl)imidazo[4,5-c]quinolin-7-yl]oxyethyl]methanesulfonamide
CID 58833656
2-[4-amino-2-butyl-1-(2-hydroxyethyl)imidazo[4,5-c]quinolin-7-yl]oxyethyl [(2R)-2-methylbutyl] hydrogen phosphate
CID 160668217
2-methyl-1-(2-methylpropyl)-7-[2-(1-methylsulfanylpiperidin-4-yl)ethoxy]imidazo[4,5-c]quinolin-4-amine
CID 143030116
1-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butan-2-ol
CID 143198142

Frequently Asked Questions

What is the IUPAC name of 7-(3-aminopropoxy)-1-(2-methylpropyl)-2-propylimidazo[4,5-c]quinolin-4-amine?
The IUPAC name of 7-(3-aminopropoxy)-1-(2-methylpropyl)-2-propylimidazo[4,5-c]quinolin-4-amine (CID 58833712) is 7-(3-aminopropoxy)-1-(2-methylpropyl)-2-propylimidazo[4,5-c]quinolin-4-amine.
What is the SMILES notation for 7-(3-aminopropoxy)-1-(2-methylpropyl)-2-propylimidazo[4,5-c]quinolin-4-amine?
The canonical SMILES for 7-(3-aminopropoxy)-1-(2-methylpropyl)-2-propylimidazo[4,5-c]quinolin-4-amine is CCCc1nc2c(N)nc3cc(OCCCN)ccc3c2n1CC(C)C.
What is the InChIKey of 7-(3-aminopropoxy)-1-(2-methylpropyl)-2-propylimidazo[4,5-c]quinolin-4-amine?
The InChIKey is BCIBQFLFQODTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O/c1-4-6-17-24-18-19(25(17)12-13(2)3)15-8-7-14(26-10-5-9-21)11-16(15)23-20(18)22/h7-8,11,13H,4-6,9-10,12,21H2,1-3H3,(H2,22,23).
What are the key properties of 7-(3-aminopropoxy)-1-(2-methylpropyl)-2-propylimidazo[4,5-c]quinolin-4-amine?
7-(3-aminopropoxy)-1-(2-methylpropyl)-2-propylimidazo[4,5-c]quinolin-4-amine has a molecular weight of 355.49 g/mol, XLogP of 3.50, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-aminopropoxy)-1-(2-methylpropyl)-2-propylimidazo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 58833712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).