7-(2-aminoethoxy)-1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine

C21H29N5O4 — CID 68972938

IUPAC7-(2-aminoethoxy)-1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine
SMILESCCOCc1nc2c(N)nc3cc(OCCN)ccc3c2n1CC1COC(C)(C)O1
InChIInChI=1S/C21H29N5O4/c1-4-27-12-17-25-18-19(26(17)10-14-11-29-21(2,3)30-14)15-6-5-13(28-8-7-22)9-16(15)24-20(18)23/h5-6,9,14H,4,7-8,10-12,22H2,1-3H3,(H2,23,24)
InChIKeyGHENRWMWMVPXJS-UHFFFAOYSA-N
MW415.49 g/mol
LogP2.19
Rot. Bonds8

About 7-(2-aminoethoxy)-1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine

7-(2-aminoethoxy)-1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine (PubChem CID 68972938) has the molecular formula C21H29N5O4 and a molecular weight of 415.49 g/mol. Its IUPAC name is 7-(2-aminoethoxy)-1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine.

Molecular Properties

Compound Name7-(2-aminoethoxy)-1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine
PubChem CID68972938
Molecular FormulaC21H29N5O4
Molecular Weight415.49 g/mol
Exact Mass415.22
IUPAC Name7-(2-aminoethoxy)-1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine
SMILESCCOCc1nc2c(N)nc3cc(OCCN)ccc3c2n1CC1COC(C)(C)O1
InChIInChI=1S/C21H29N5O4/c1-4-27-12-17-25-18-19(26(17)10-14-11-29-21(2,3)30-14)15-6-5-13(28-8-7-22)9-16(15)24-20(18)23/h5-6,9,14H,4,7-8,10-12,22H2,1-3H3,(H2,23,24)
InChIKeyGHENRWMWMVPXJS-UHFFFAOYSA-N
XLogP2.19
TPSA119.67 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

1-[3-[4-amino-1-(4-aminobutyl)-2-(ethoxymethyl)imidazo[4,5-c]quinolin-7-yl]oxypropyl]pyrrolidin-2-one
CID 58833657
2-(ethoxymethyl)-1-[(2-methyl-3-phenyl-1,2-oxazolidin-5-yl)methyl]imidazo[4,5-c]quinolin-4-amine
CID 59007299
7-(3-aminopropoxy)-1-(2-methylpropyl)-2-propylimidazo[4,5-c]quinolin-4-amine
CID 58833712
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
N-[6-[4-amino-2-(ethoxymethyl)-1-[2-(methanesulfonamido)-2-methylpropyl]imidazo[4,5-c]quinolin-7-yl]oxyhexyl]acetamide
CID 11663966
1-(3-aminopropyl)-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine
CID 22344434
2-(ethoxymethyl)-1-ethylimidazo[4,5-c]quinolin-4-amine
CID 122646444
[4-[[4-amino-7-bromo-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]methyl]piperidin-1-yl]-morpholin-4-ylmethanone
CID 68818117
6-(2-aminoethoxy)-2-(ethoxymethyl)-1-propylimidazo[4,5-c]quinolin-4-amine
CID 68969748
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
1-[4-amino-7-[[4-(aminomethyl)phenyl]methyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol
CID 175941260

Frequently Asked Questions

What is the IUPAC name of 7-(2-aminoethoxy)-1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine?
The IUPAC name of 7-(2-aminoethoxy)-1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine (CID 68972938) is 7-(2-aminoethoxy)-1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine.
What is the SMILES notation for 7-(2-aminoethoxy)-1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine?
The canonical SMILES for 7-(2-aminoethoxy)-1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine is CCOCc1nc2c(N)nc3cc(OCCN)ccc3c2n1CC1COC(C)(C)O1.
What is the InChIKey of 7-(2-aminoethoxy)-1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine?
The InChIKey is GHENRWMWMVPXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O4/c1-4-27-12-17-25-18-19(26(17)10-14-11-29-21(2,3)30-14)15-6-5-13(28-8-7-22)9-16(15)24-20(18)23/h5-6,9,14H,4,7-8,10-12,22H2,1-3H3,(H2,23,24).
What are the key properties of 7-(2-aminoethoxy)-1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine?
7-(2-aminoethoxy)-1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine has a molecular weight of 415.49 g/mol, XLogP of 2.19, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-aminoethoxy)-1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 68972938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).