ethane;2-(ethoxymethyl)-1-methyl-8-phenylmethoxyimidazo[4,5-c]quinolin-4-amine

C23H28N4O2 — CID 143012779

IUPACethane;2-(ethoxymethyl)-1-methyl-8-phenylmethoxyimidazo[4,5-c]quinolin-4-amine
SMILESCC.CCOCc1nc2c(N)nc3ccc(OCc4ccccc4)cc3c2n1C
InChIInChI=1S/C21H22N4O2.C2H6/c1-3-26-13-18-24-19-20(25(18)2)16-11-15(9-10-17(16)23-21(19)22)27-12-14-7-5-4-6-8-14;1-2/h4-11H,3,12-13H2,1-2H3,(H2,22,23);1-2H3
InChIKeyTVMYHKHQVGWPHI-UHFFFAOYSA-N
MW392.50 g/mol
LogP4.85
Rot. Bonds6

About ethane;2-(ethoxymethyl)-1-methyl-8-phenylmethoxyimidazo[4,5-c]quinolin-4-amine

ethane;2-(ethoxymethyl)-1-methyl-8-phenylmethoxyimidazo[4,5-c]quinolin-4-amine (PubChem CID 143012779) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is ethane;2-(ethoxymethyl)-1-methyl-8-phenylmethoxyimidazo[4,5-c]quinolin-4-amine.

Molecular Properties

Compound Nameethane;2-(ethoxymethyl)-1-methyl-8-phenylmethoxyimidazo[4,5-c]quinolin-4-amine
PubChem CID143012779
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Nameethane;2-(ethoxymethyl)-1-methyl-8-phenylmethoxyimidazo[4,5-c]quinolin-4-amine
SMILESCC.CCOCc1nc2c(N)nc3ccc(OCc4ccccc4)cc3c2n1C
InChIInChI=1S/C21H22N4O2.C2H6/c1-3-26-13-18-24-19-20(25(18)2)16-11-15(9-10-17(16)23-21(19)22)27-12-14-7-5-4-6-8-14;1-2/h4-11H,3,12-13H2,1-2H3,(H2,22,23);1-2H3
InChIKeyTVMYHKHQVGWPHI-UHFFFAOYSA-N
XLogP4.85
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-4-amine
CID 118146427
4-[2-(ethoxymethyl)-8-phenylmethoxyimidazo[4,5-c]quinolin-1-yl]butan-1-amine
CID 141108816
1-[4-(4-amino-2-ethyl-8-phenylmethoxyimidazo[4,5-c]quinolin-1-yl)butyl]-1-phenylurea
CID 68970171
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
2-[4-amino-2-(ethoxymethyl)-1-propylimidazo[4,5-c]quinolin-8-yl]oxy-1-(1,1-dihydroxy-1,4-thiazinan-4-yl)ethanone
CID 68971443
2-[4-amino-2-(ethoxymethyl)-1-propylimidazo[4,5-c]quinolin-8-yl]oxy-1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone
CID 58833716
[1-[2-(ethoxymethyl)-8-phenylmethoxyimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl] carbamate
CID 68971607
1-(4-aminobutyl)-7-benzyl-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine
CID 175941287
2-ethyl-6-phenylmethoxyquinolin-4-amine
CID 62204129
1-[4-(benzylamino)butyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine
CID 67519559
2,3-dimethyl-6-phenylmethoxyquinolin-4-amine
CID 62204130

Frequently Asked Questions

What is the IUPAC name of ethane;2-(ethoxymethyl)-1-methyl-8-phenylmethoxyimidazo[4,5-c]quinolin-4-amine?
The IUPAC name of ethane;2-(ethoxymethyl)-1-methyl-8-phenylmethoxyimidazo[4,5-c]quinolin-4-amine (CID 143012779) is ethane;2-(ethoxymethyl)-1-methyl-8-phenylmethoxyimidazo[4,5-c]quinolin-4-amine.
What is the SMILES notation for ethane;2-(ethoxymethyl)-1-methyl-8-phenylmethoxyimidazo[4,5-c]quinolin-4-amine?
The canonical SMILES for ethane;2-(ethoxymethyl)-1-methyl-8-phenylmethoxyimidazo[4,5-c]quinolin-4-amine is CC.CCOCc1nc2c(N)nc3ccc(OCc4ccccc4)cc3c2n1C.
What is the InChIKey of ethane;2-(ethoxymethyl)-1-methyl-8-phenylmethoxyimidazo[4,5-c]quinolin-4-amine?
The InChIKey is TVMYHKHQVGWPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2.C2H6/c1-3-26-13-18-24-19-20(25(18)2)16-11-15(9-10-17(16)23-21(19)22)27-12-14-7-5-4-6-8-14;1-2/h4-11H,3,12-13H2,1-2H3,(H2,22,23);1-2H3.
What are the key properties of ethane;2-(ethoxymethyl)-1-methyl-8-phenylmethoxyimidazo[4,5-c]quinolin-4-amine?
ethane;2-(ethoxymethyl)-1-methyl-8-phenylmethoxyimidazo[4,5-c]quinolin-4-amine has a molecular weight of 392.50 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(ethoxymethyl)-1-methyl-8-phenylmethoxyimidazo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 143012779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).