4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl N-ethylcarbamate;4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl ethyl carbonate;1-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]-3-ethylurea;ethyl N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]carbamate

C84H116N20O12 — CID 161064042

IUPAC4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl N-ethylcarbamate;4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl ethyl carbonate;1-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]-3-ethylurea;ethyl N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]carbamate
SMILESCCCCc1nc2c(N)nc3ccccc3c2n1OCCCCNC(=O)NCC.CCCCc1nc2c(N)nc3ccccc3c2n1OCCCCNC(=O)OCC.CCCCc1nc2c(N)nc3ccccc3c2n1OCCCCOC(=O)NCC.CCCCc1nc2c(N)nc3ccccc3c2n1OCCCCOC(=O)OCC
InChIInChI=1S/C21H30N6O2.2C21H29N5O3.C21H28N4O4/c1-3-5-12-17-26-18-19(15-10-6-7-11-16(15)25-20(18)22)27(17)29-14-9-8-13-24-21(28)23-4-2;1-3-5-12-17-25-18-19(15-10-6-7-11-16(15)24-20(18)22)26(17)29-14-9-8-13-23-21(27)28-4-2;1-3-5-12-17-25-18-19(15-10-6-7-11-16(15)24-20(18)22)26(17)29-14-9-8-13-28-21(27)23-4-2;1-3-5-12-17-24-18-19(15-10-6-7-11-16(15)23-20(18)22)25(17)29-14-9-8-13-28-21(26)27-4-2/h6-7,10-11H,3-5,8-9,12-14H2,1-2H3,(H2,22,25)(H2,23,24,28);2*6-7,10-11H,3-5,8-9,12-14H2,1-2H3,(H2,22,24)(H,23,27);6-7,10-11H,3-5,8-9,12-14H2,1-2H3,(H2,22,23)
InChIKeyUDTUDNGOXURTBZ-UHFFFAOYSA-N
MW1597.98 g/mol
LogP13.86
Rot. Bonds40

About 4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl N-ethylcarbamate;4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl ethyl carbonate;1-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]-3-ethylurea;ethyl N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]carbamate

4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl N-ethylcarbamate;4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl ethyl carbonate;1-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]-3-ethylurea;ethyl N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]carbamate (PubChem CID 161064042) has the molecular formula C84H116N20O12 and a molecular weight of 1597.98 g/mol. Its IUPAC name is 4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl N-ethylcarbamate;4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl ethyl carbonate;1-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]-3-ethylurea;ethyl N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]carbamate.

Molecular Properties

Compound Name4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl N-ethylcarbamate;4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl ethyl carbonate;1-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]-3-ethylurea;ethyl N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]carbamate
PubChem CID161064042
Molecular FormulaC84H116N20O12
Molecular Weight1597.98 g/mol
Exact Mass1596.91
IUPAC Name4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl N-ethylcarbamate;4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl ethyl carbonate;1-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]-3-ethylurea;ethyl N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]carbamate
SMILESCCCCc1nc2c(N)nc3ccccc3c2n1OCCCCNC(=O)NCC.CCCCc1nc2c(N)nc3ccccc3c2n1OCCCCNC(=O)OCC.CCCCc1nc2c(N)nc3ccccc3c2n1OCCCCOC(=O)NCC.CCCCc1nc2c(N)nc3ccccc3c2n1OCCCCOC(=O)OCC
InChIInChI=1S/C21H30N6O2.2C21H29N5O3.C21H28N4O4/c1-3-5-12-17-26-18-19(15-10-6-7-11-16(15)25-20(18)22)27(17)29-14-9-8-13-24-21(28)23-4-2;1-3-5-12-17-25-18-19(15-10-6-7-11-16(15)24-20(18)22)26(17)29-14-9-8-13-23-21(27)28-4-2;1-3-5-12-17-25-18-19(15-10-6-7-11-16(15)24-20(18)22)26(17)29-14-9-8-13-28-21(27)23-4-2;1-3-5-12-17-24-18-19(15-10-6-7-11-16(15)23-20(18)22)25(17)29-14-9-8-13-28-21(26)27-4-2/h6-7,10-11H,3-5,8-9,12-14H2,1-2H3,(H2,22,25)(H2,23,24,28);2*6-7,10-11H,3-5,8-9,12-14H2,1-2H3,(H2,22,24)(H,23,27);6-7,10-11H,3-5,8-9,12-14H2,1-2H3,(H2,22,23)
InChIKeyUDTUDNGOXURTBZ-UHFFFAOYSA-N
XLogP13.86
TPSA417.16 Ų
H-Bond Donors8
H-Bond Acceptors28
Rotatable Bonds40
Heavy Atoms116
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001597.98
LogP ≤ 513.86
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl N-ethylcarbamate;4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl ethyl carbonate;1-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]-3-ethylurea;ethyl N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]carbamate with MolForge

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Related Compounds

ethyl N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]carbamate
CID 130232652
4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl N-ethylcarbamate
CID 130233005
1-[4-[4-Amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-3-(2-bromophenyl)urea;bis(1-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-3-methylurea);1-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-3-phenylurea
CID 157129287
N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]-N-[3-(dimethylamino)propyl]octadecanamide;N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]-N',N'-dimethylpropane-1,3-diamine;propanoic acid
CID 157137488
4-N-benzyl-2-N-methyl-1-(2-methylpropyl)-2-N-prop-2-enylimidazo[4,5-c]quinoline-2,4-diamine;4-N,4-N-dibenzyl-2-N-methyl-1-(2-methylpropyl)-2-N-prop-2-enylimidazo[4,5-c]quinoline-2,4-diamine;2-ethyl-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine;methane;2-N-methyl-1-(2-methylpropyl)-2-N-prop-2-enylimidazo[4,5-c]quinoline-2,4-diamine
CID 157327130
1-[2-(Ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]-3-[2-[2-[3-[2-[2-[[2-(hydroxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]carbamoylamino]ethoxy]ethoxy]-2,2-bis[2-[2-[[2-(hydroxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]carbamoylamino]ethoxy]ethoxymethyl]propoxy]ethoxy]ethyl]urea
CID 157831839
1-[2-(Ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]-3-[2-[2-[3-[2-[2-[[1-(2-hydroxy-2-methylpropyl)-2-(methoxymethyl)imidazo[4,5-c]quinolin-4-yl]carbamoylamino]ethoxy]ethoxy]-2,2-bis[2-[2-[[1-(2-hydroxy-2-methylpropyl)-2-(methoxymethyl)imidazo[4,5-c]quinolin-4-yl]carbamoylamino]ethoxy]ethoxymethyl]propoxy]ethoxy]ethyl]urea
CID 157869155
bis(N-[4-(4-acetamido-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]propanamide);S-[4-(4-acetamido-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl] propanethioate;4-(4-acetamido-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl propanoate
CID 158116802
[6-amino-9-benzyl-2-(2-methoxyethoxy)purin-8-yl] ethyl carbonate;[6-amino-9-benzyl-2-(2-methoxyethoxy)purin-8-yl] propyl carbonate;9-benzyl-8-ethoxy-2-(2-methoxyethoxy)purin-6-amine;9-benzyl-2-(2-methoxyethoxy)purin-6-amine;9-benzyl-8-methoxy-2-(2-methoxyethoxy)purin-6-amine;ethyl N-[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]carbamate
CID 158214051
1-[4-[4-Amino-2-(2-methoxyethyl)-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-1-yl]butyl]-3-phenylurea;tris(2-(2-methoxyethyl)-6,7-dimethyl-1-[4-(methylamino)butyl]imidazo[4,5-c]pyridin-4-amine)
CID 158369601
3-[[3-(4-aminobutylamino)-3-oxopropyl]-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]amino]-N-pentylpropanamide;N'-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-N'-pentylbutane-1,4-diamine;2-butyl-1-[4-(methylamino)butyl]imidazo[4,5-c]quinolin-4-amine
CID 158719711
4-N-benzyl-2-N-methyl-1-(2-methylpropyl)-2-N-prop-2-enylimidazo[4,5-c]quinoline-2,4-diamine;4-N,4-N-dibenzyl-2-N-methyl-1-(2-methylpropyl)-2-N-prop-2-enylimidazo[4,5-c]quinoline-2,4-diamine;2-ethyl-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine;2-N-methyl-1-(2-methylpropyl)-2-N-prop-2-enylimidazo[4,5-c]quinoline-2,4-diamine
CID 158908677

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl N-ethylcarbamate;4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl ethyl carbonate;1-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]-3-ethylurea;ethyl N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]carbamate?
The IUPAC name of 4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl N-ethylcarbamate;4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl ethyl carbonate;1-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]-3-ethylurea;ethyl N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]carbamate (CID 161064042) is 4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl N-ethylcarbamate;4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl ethyl carbonate;1-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]-3-ethylurea;ethyl N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]carbamate.
What is the SMILES notation for 4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl N-ethylcarbamate;4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl ethyl carbonate;1-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]-3-ethylurea;ethyl N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]carbamate?
The canonical SMILES for 4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl N-ethylcarbamate;4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl ethyl carbonate;1-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]-3-ethylurea;ethyl N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]carbamate is CCCCc1nc2c(N)nc3ccccc3c2n1OCCCCNC(=O)NCC.CCCCc1nc2c(N)nc3ccccc3c2n1OCCCCNC(=O)OCC.CCCCc1nc2c(N)nc3ccccc3c2n1OCCCCOC(=O)NCC.CCCCc1nc2c(N)nc3ccccc3c2n1OCCCCOC(=O)OCC.
What is the InChIKey of 4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl N-ethylcarbamate;4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl ethyl carbonate;1-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]-3-ethylurea;ethyl N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]carbamate?
The InChIKey is UDTUDNGOXURTBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6O2.2C21H29N5O3.C21H28N4O4/c1-3-5-12-17-26-18-19(15-10-6-7-11-16(15)25-20(18)22)27(17)29-14-9-8-13-24-21(28)23-4-2;1-3-5-12-17-25-18-19(15-10-6-7-11-16(15)24-20(18)22)26(17)29-14-9-8-13-23-21(27)28-4-2;1-3-5-12-17-25-18-19(15-10-6-7-11-16(15)24-20(18)22)26(17)29-14-9-8-13-28-21(27)23-4-2;1-3-5-12-17-24-18-19(15-10-6-7-11-16(15)23-20(18)22)25(17)29-14-9-8-13-28-21(26)27-4-2/h6-7,10-11H,3-5,8-9,12-14H2,1-2H3,(H2,22,25)(H2,23,24,28);2*6-7,10-11H,3-5,8-9,12-14H2,1-2H3,(H2,22,24)(H,23,27);6-7,10-11H,3-5,8-9,12-14H2,1-2H3,(H2,22,23).
What are the key properties of 4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl N-ethylcarbamate;4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl ethyl carbonate;1-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]-3-ethylurea;ethyl N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]carbamate?
4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl N-ethylcarbamate;4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl ethyl carbonate;1-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]-3-ethylurea;ethyl N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]carbamate has a molecular weight of 1597.98 g/mol, XLogP of 13.86, 40 rotatable bonds, 8 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl N-ethylcarbamate;4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl ethyl carbonate;1-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]-3-ethylurea;ethyl N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]carbamate is sourced from PubChem (CID 161064042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).