2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine

C20H26N4O2 — CID 67052415

IUPAC2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine
SMILESCC(C)Cn1c(CCC2(C)OCCO2)nc2c(N)nc3ccccc3c21
InChIInChI=1S/C20H26N4O2/c1-13(2)12-24-16(8-9-20(3)25-10-11-26-20)23-17-18(24)14-6-4-5-7-15(14)22-19(17)21/h4-7,13H,8-12H2,1-3H3,(H2,21,22)
InChIKeyBPXIENLLRDUMFM-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.52
Rot. Bonds5

About 2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine

2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine (PubChem CID 67052415) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine.

Molecular Properties

Compound Name2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine
PubChem CID67052415
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine
SMILESCC(C)Cn1c(CCC2(C)OCCO2)nc2c(N)nc3ccccc3c21
InChIInChI=1S/C20H26N4O2/c1-13(2)12-24-16(8-9-20(3)25-10-11-26-20)23-17-18(24)14-6-4-5-7-15(14)22-19(17)21/h4-7,13H,8-12H2,1-3H3,(H2,21,22)
InChIKeyBPXIENLLRDUMFM-UHFFFAOYSA-N
XLogP3.52
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine with MolForge

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Related Compounds

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
1-(2-methylpropyl)-2-(morpholin-4-ylmethyl)imidazo[4,5-c]quinolin-4-amine
CID 10290980
1-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butan-2-ol
CID 143198142
1-(2-methylpropyl)-2-(piperazin-1-ylmethyl)imidazo[4,5-c]quinolin-4-amine
CID 69318179
2-(dimethylphosphorylmethoxymethyl)-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine
CID 59796222
1-(2-methylpropyl)-2-phenylimidazo[4,5-c]quinolin-4-amine
CID 11209291
2-N-methyl-1-(2-methylpropyl)imidazo[4,5-c]quinoline-2,4-diamine
CID 11630397
2-(ethoxymethyl)-1-ethylimidazo[4,5-c]quinolin-4-amine
CID 122646444
2-[4-amino-1-(3-methylbutan-2-yl)imidazo[4,5-c]quinolin-2-yl]ethanol
CID 10379948
2-butyl-1-hexylimidazo[4,5-c]quinolin-4-amine
CID 157447950

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine?
The IUPAC name of 2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine (CID 67052415) is 2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine.
What is the SMILES notation for 2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine?
The canonical SMILES for 2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine is CC(C)Cn1c(CCC2(C)OCCO2)nc2c(N)nc3ccccc3c21.
What is the InChIKey of 2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine?
The InChIKey is BPXIENLLRDUMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-13(2)12-24-16(8-9-20(3)25-10-11-26-20)23-17-18(24)14-6-4-5-7-15(14)22-19(17)21/h4-7,13H,8-12H2,1-3H3,(H2,21,22).
What are the key properties of 2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine?
2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine has a molecular weight of 354.45 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 67052415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).