2-[4-amino-2-(ethoxymethyl)-1-propylimidazo[4,5-c]quinolin-8-yl]oxy-1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone

C22H29N5O5S — CID 58833716

IUPAC2-[4-amino-2-(ethoxymethyl)-1-propylimidazo[4,5-c]quinolin-8-yl]oxy-1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone
SMILESCCCn1c(COCC)nc2c(N)nc3ccc(OCC(=O)N4CCS(=O)(=O)CC4)cc3c21
InChIInChI=1S/C22H29N5O5S/c1-3-7-27-18(13-31-4-2)25-20-21(27)16-12-15(5-6-17(16)24-22(20)23)32-14-19(28)26-8-10-33(29,30)11-9-26/h5-6,12H,3-4,7-11,13-14H2,1-2H3,(H2,23,24)
InChIKeyDROBUDCSSJEBFD-UHFFFAOYSA-N
MW475.57 g/mol
LogP1.75
Rot. Bonds8

About 2-[4-amino-2-(ethoxymethyl)-1-propylimidazo[4,5-c]quinolin-8-yl]oxy-1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone

2-[4-amino-2-(ethoxymethyl)-1-propylimidazo[4,5-c]quinolin-8-yl]oxy-1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone (PubChem CID 58833716) has the molecular formula C22H29N5O5S and a molecular weight of 475.57 g/mol. Its IUPAC name is 2-[4-amino-2-(ethoxymethyl)-1-propylimidazo[4,5-c]quinolin-8-yl]oxy-1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone.

Molecular Properties

Compound Name2-[4-amino-2-(ethoxymethyl)-1-propylimidazo[4,5-c]quinolin-8-yl]oxy-1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone
PubChem CID58833716
Molecular FormulaC22H29N5O5S
Molecular Weight475.57 g/mol
Exact Mass475.19
IUPAC Name2-[4-amino-2-(ethoxymethyl)-1-propylimidazo[4,5-c]quinolin-8-yl]oxy-1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone
SMILESCCCn1c(COCC)nc2c(N)nc3ccc(OCC(=O)N4CCS(=O)(=O)CC4)cc3c21
InChIInChI=1S/C22H29N5O5S/c1-3-7-27-18(13-31-4-2)25-20-21(27)16-12-15(5-6-17(16)24-22(20)23)32-14-19(28)26-8-10-33(29,30)11-9-26/h5-6,12H,3-4,7-11,13-14H2,1-2H3,(H2,23,24)
InChIKeyDROBUDCSSJEBFD-UHFFFAOYSA-N
XLogP1.75
TPSA129.64 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.57
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

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
4-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-1-morpholin-4-ylbutan-1-one
CID 57447015
ethane;2-(ethoxymethyl)-1-methyl-8-phenylmethoxyimidazo[4,5-c]quinolin-4-amine
CID 143012779
2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethylcarbamic acid
CID 146308241
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
N-[2-[4-amino-1-(2-hydroxy-2-methylpropyl)-2-(methoxymethyl)imidazo[4,5-c]quinolin-8-yl]ethyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 11997183
1-[3-[4-amino-1-(4-aminobutyl)-2-(ethoxymethyl)imidazo[4,5-c]quinolin-7-yl]oxypropyl]pyrrolidin-2-one
CID 58833657
2-amino-N-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]-2-iodopropanamide
CID 146320064
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
1-[3-[4-amino-1-(5-aminopentyl)-2-(ethoxymethyl)imidazo[4,5-c]quinolin-7-yl]oxypropyl]pyrrolidin-2-one;methanethiol
CID 143228029
N-[3-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]propyl]-2-chloroacetamide
CID 172692306

Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-2-(ethoxymethyl)-1-propylimidazo[4,5-c]quinolin-8-yl]oxy-1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone?
The IUPAC name of 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) is 2-[4-amino-2-(ethoxymethyl)-1-propylimidazo[4,5-c]quinolin-8-yl]oxy-1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone.
What is the SMILES notation for 2-[4-amino-2-(ethoxymethyl)-1-propylimidazo[4,5-c]quinolin-8-yl]oxy-1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone?
The canonical SMILES for 2-[4-amino-2-(ethoxymethyl)-1-propylimidazo[4,5-c]quinolin-8-yl]oxy-1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone is CCCn1c(COCC)nc2c(N)nc3ccc(OCC(=O)N4CCS(=O)(=O)CC4)cc3c21.
What is the InChIKey of 2-[4-amino-2-(ethoxymethyl)-1-propylimidazo[4,5-c]quinolin-8-yl]oxy-1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone?
The InChIKey is DROBUDCSSJEBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O5S/c1-3-7-27-18(13-31-4-2)25-20-21(27)16-12-15(5-6-17(16)24-22(20)23)32-14-19(28)26-8-10-33(29,30)11-9-26/h5-6,12H,3-4,7-11,13-14H2,1-2H3,(H2,23,24).
What are the key properties of 2-[4-amino-2-(ethoxymethyl)-1-propylimidazo[4,5-c]quinolin-8-yl]oxy-1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone?
2-[4-amino-2-(ethoxymethyl)-1-propylimidazo[4,5-c]quinolin-8-yl]oxy-1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone has a molecular weight of 475.57 g/mol, XLogP of 1.75, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-2-(ethoxymethyl)-1-propylimidazo[4,5-c]quinolin-8-yl]oxy-1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone is sourced from PubChem (CID 58833716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).