2-(2-methoxyethyl)-1-(2-methylpropyl)-7-(2-pyrrol-1-ylethoxy)imidazo[4,5-c]quinolin-4-amine

C23H29N5O2 — CID 143012822

IUPAC2-(2-methoxyethyl)-1-(2-methylpropyl)-7-(2-pyrrol-1-ylethoxy)imidazo[4,5-c]quinolin-4-amine
SMILESCOCCc1nc2c(N)nc3cc(OCCn4cccc4)ccc3c2n1CC(C)C
InChIInChI=1S/C23H29N5O2/c1-16(2)15-28-20(8-12-29-3)26-21-22(28)18-7-6-17(14-19(18)25-23(21)24)30-13-11-27-9-4-5-10-27/h4-7,9-10,14,16H,8,11-13,15H2,1-3H3,(H2,24,25)
InChIKeyKBIDMMXOQXOAPR-UHFFFAOYSA-N
MW407.52 g/mol
LogP3.89
Rot. Bonds9

About 2-(2-methoxyethyl)-1-(2-methylpropyl)-7-(2-pyrrol-1-ylethoxy)imidazo[4,5-c]quinolin-4-amine

2-(2-methoxyethyl)-1-(2-methylpropyl)-7-(2-pyrrol-1-ylethoxy)imidazo[4,5-c]quinolin-4-amine (PubChem CID 143012822) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-1-(2-methylpropyl)-7-(2-pyrrol-1-ylethoxy)imidazo[4,5-c]quinolin-4-amine.

Molecular Properties

Compound Name2-(2-methoxyethyl)-1-(2-methylpropyl)-7-(2-pyrrol-1-ylethoxy)imidazo[4,5-c]quinolin-4-amine
PubChem CID143012822
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC Name2-(2-methoxyethyl)-1-(2-methylpropyl)-7-(2-pyrrol-1-ylethoxy)imidazo[4,5-c]quinolin-4-amine
SMILESCOCCc1nc2c(N)nc3cc(OCCn4cccc4)ccc3c2n1CC(C)C
InChIInChI=1S/C23H29N5O2/c1-16(2)15-28-20(8-12-29-3)26-21-22(28)18-7-6-17(14-19(18)25-23(21)24)30-13-11-27-9-4-5-10-27/h4-7,9-10,14,16H,8,11-13,15H2,1-3H3,(H2,24,25)
InChIKeyKBIDMMXOQXOAPR-UHFFFAOYSA-N
XLogP3.89
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

7-(3-aminopropoxy)-1-(2-methylpropyl)-2-propylimidazo[4,5-c]quinolin-4-amine
CID 58833712
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
1-(2-methylpropyl)-2-propylimidazo[4,5-c]quinolin-4-amine
CID 11150246
N-[2-[4-amino-2-methyl-1-(2-methylpropyl)imidazo[4,5-c]quinolin-7-yl]oxyethyl]methanesulfonamide
CID 58833656
1-(3-aminobutyl)-2-(3-phenoxypropyl)imidazo[4,5-c]quinolin-4-amine
CID 22344427
1-(2-methylpropyl)-2-pentylimidazo[4,5-c]quinolin-4-amine
CID 11185992
2-methyl-1-(2-methylpropyl)-7-[2-(1-methylsulfanylpiperidin-4-yl)ethoxy]imidazo[4,5-c]quinolin-4-amine
CID 143030116
2-[4-amino-2-butyl-1-(2-hydroxyethyl)imidazo[4,5-c]quinolin-7-yl]oxyethyl [(2R)-2-methylbutyl] hydrogen phosphate
CID 160668217
N'-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-N,N-dimethyl-N'-[[3-(2-methylpropoxy)phenyl]methyl]ethane-1,2-diamine;carbon dioxide
CID 162130164
7-[4-amino-1-(2-phenoxyethyl)-7-phenylmethoxyimidazo[4,5-c]quinolin-2-yl]-1-phenylheptan-2-one
CID 58304322

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-1-(2-methylpropyl)-7-(2-pyrrol-1-ylethoxy)imidazo[4,5-c]quinolin-4-amine?
The IUPAC name of 2-(2-methoxyethyl)-1-(2-methylpropyl)-7-(2-pyrrol-1-ylethoxy)imidazo[4,5-c]quinolin-4-amine (CID 143012822) is 2-(2-methoxyethyl)-1-(2-methylpropyl)-7-(2-pyrrol-1-ylethoxy)imidazo[4,5-c]quinolin-4-amine.
What is the SMILES notation for 2-(2-methoxyethyl)-1-(2-methylpropyl)-7-(2-pyrrol-1-ylethoxy)imidazo[4,5-c]quinolin-4-amine?
The canonical SMILES for 2-(2-methoxyethyl)-1-(2-methylpropyl)-7-(2-pyrrol-1-ylethoxy)imidazo[4,5-c]quinolin-4-amine is COCCc1nc2c(N)nc3cc(OCCn4cccc4)ccc3c2n1CC(C)C.
What is the InChIKey of 2-(2-methoxyethyl)-1-(2-methylpropyl)-7-(2-pyrrol-1-ylethoxy)imidazo[4,5-c]quinolin-4-amine?
The InChIKey is KBIDMMXOQXOAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2/c1-16(2)15-28-20(8-12-29-3)26-21-22(28)18-7-6-17(14-19(18)25-23(21)24)30-13-11-27-9-4-5-10-27/h4-7,9-10,14,16H,8,11-13,15H2,1-3H3,(H2,24,25).
What are the key properties of 2-(2-methoxyethyl)-1-(2-methylpropyl)-7-(2-pyrrol-1-ylethoxy)imidazo[4,5-c]quinolin-4-amine?
2-(2-methoxyethyl)-1-(2-methylpropyl)-7-(2-pyrrol-1-ylethoxy)imidazo[4,5-c]quinolin-4-amine has a molecular weight of 407.52 g/mol, XLogP of 3.89, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-1-(2-methylpropyl)-7-(2-pyrrol-1-ylethoxy)imidazo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 143012822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).