1-[2-(2-aminoethoxy)-2-methylpropyl]-2-pentylimidazo[4,5-c]quinolin-4-amine

C21H31N5O — CID 118451580

IUPAC1-[2-(2-aminoethoxy)-2-methylpropyl]-2-pentylimidazo[4,5-c]quinolin-4-amine
SMILESCCCCCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)OCCN
InChIInChI=1S/C21H31N5O/c1-4-5-6-11-17-25-18-19(26(17)14-21(2,3)27-13-12-22)15-9-7-8-10-16(15)24-20(18)23/h7-10H,4-6,11-14,22H2,1-3H3,(H2,23,24)
InChIKeyUKWYNGPGDNDJRN-UHFFFAOYSA-N
MW369.51 g/mol
LogP3.65
Rot. Bonds9

About 1-[2-(2-aminoethoxy)-2-methylpropyl]-2-pentylimidazo[4,5-c]quinolin-4-amine

1-[2-(2-aminoethoxy)-2-methylpropyl]-2-pentylimidazo[4,5-c]quinolin-4-amine (PubChem CID 118451580) has the molecular formula C21H31N5O and a molecular weight of 369.51 g/mol. Its IUPAC name is 1-[2-(2-aminoethoxy)-2-methylpropyl]-2-pentylimidazo[4,5-c]quinolin-4-amine.

Molecular Properties

Compound Name1-[2-(2-aminoethoxy)-2-methylpropyl]-2-pentylimidazo[4,5-c]quinolin-4-amine
PubChem CID118451580
Molecular FormulaC21H31N5O
Molecular Weight369.51 g/mol
Exact Mass369.25
IUPAC Name1-[2-(2-aminoethoxy)-2-methylpropyl]-2-pentylimidazo[4,5-c]quinolin-4-amine
SMILESCCCCCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)OCCN
InChIInChI=1S/C21H31N5O/c1-4-5-6-11-17-25-18-19(26(17)14-21(2,3)27-13-12-22)15-9-7-8-10-16(15)24-20(18)23/h7-10H,4-6,11-14,22H2,1-3H3,(H2,23,24)
InChIKeyUKWYNGPGDNDJRN-UHFFFAOYSA-N
XLogP3.65
TPSA91.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 53.65
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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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-aminoethoxy)-2-methylpropyl]-2-pentylimidazo[4,5-c]quinolin-4-amine?
The IUPAC name of 1-[2-(2-aminoethoxy)-2-methylpropyl]-2-pentylimidazo[4,5-c]quinolin-4-amine (CID 118451580) is 1-[2-(2-aminoethoxy)-2-methylpropyl]-2-pentylimidazo[4,5-c]quinolin-4-amine.
What is the SMILES notation for 1-[2-(2-aminoethoxy)-2-methylpropyl]-2-pentylimidazo[4,5-c]quinolin-4-amine?
The canonical SMILES for 1-[2-(2-aminoethoxy)-2-methylpropyl]-2-pentylimidazo[4,5-c]quinolin-4-amine is CCCCCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)OCCN.
What is the InChIKey of 1-[2-(2-aminoethoxy)-2-methylpropyl]-2-pentylimidazo[4,5-c]quinolin-4-amine?
The InChIKey is UKWYNGPGDNDJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O/c1-4-5-6-11-17-25-18-19(26(17)14-21(2,3)27-13-12-22)15-9-7-8-10-16(15)24-20(18)23/h7-10H,4-6,11-14,22H2,1-3H3,(H2,23,24).
What are the key properties of 1-[2-(2-aminoethoxy)-2-methylpropyl]-2-pentylimidazo[4,5-c]quinolin-4-amine?
1-[2-(2-aminoethoxy)-2-methylpropyl]-2-pentylimidazo[4,5-c]quinolin-4-amine has a molecular weight of 369.51 g/mol, XLogP of 3.65, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-aminoethoxy)-2-methylpropyl]-2-pentylimidazo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 118451580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).