1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;tert-butyl N-[(2S)-1-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate;deuterio(fluoro)methane;N,N-dimethylpyridin-4-amine;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;(2S)-4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-propan-2-ylbutanoic acid;hydrochloride

C71H112ClFN14O11 — CID 159668493

IUPAC1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;tert-butyl N-[(2S)-1-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate;deuterio(fluoro)methane;N,N-dimethylpyridin-4-amine;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;(2S)-4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-propan-2-ylbutanoic acid;hydrochloride
SMILESCC(C)[C@H](CC(=O)OC(C)(C)C)C(=O)O.CCN=C=NCCCN(C)C.CCOCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)O.CCOCc1nc2c(NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)nc3ccccc3c2n1CC(C)(C)O.CN(C)c1ccncc1.Cl.[2H]CF
InChIInChI=1S/C27H39N5O5.C17H22N4O2.C11H20O4.C8H17N3.C7H10N2.CH3F.ClH/c1-9-36-14-19-29-21-22(32(19)15-27(7,8)35)17-12-10-11-13-18(17)28-23(21)31-24(33)20(16(2)3)30-25(34)37-26(4,5)6;1-4-23-9-13-20-14-15(21(13)10-17(2,3)22)11-7-5-6-8-12(11)19-16(14)18;1-7(2)8(10(13)14)6-9(12)15-11(3,4)5;1-4-9-8-10-6-5-7-11(2)3;1-9(2)7-3-5-8-6-4-7;1-2;/h10-13,16,20,35H,9,14-15H2,1-8H3,(H,30,34)(H,28,31,33);5-8,22H,4,9-10H2,1-3H3,(H2,18,19);7-8H,6H2,1-5H3,(H,13,14);4-7H2,1-3H3;3-6H,1-2H3;1H3;1H/t20-;;8-;;;;/m0.0..../s1/i;;;;;1D;
InChIKeyXTKPAFWJEPERAU-HEIBEIPFSA-N
MW1393.22 g/mol
LogP12.22
Rot. Bonds24

About 1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;tert-butyl N-[(2S)-1-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate;deuterio(fluoro)methane;N,N-dimethylpyridin-4-amine;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;(2S)-4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-propan-2-ylbutanoic acid;hydrochloride

1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;tert-butyl N-[(2S)-1-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate;deuterio(fluoro)methane;N,N-dimethylpyridin-4-amine;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;(2S)-4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-propan-2-ylbutanoic acid;hydrochloride (PubChem CID 159668493) has the molecular formula C71H112ClFN14O11 and a molecular weight of 1393.22 g/mol. Its IUPAC name is 1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;tert-butyl N-[(2S)-1-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate;deuterio(fluoro)methane;N,N-dimethylpyridin-4-amine;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;(2S)-4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-propan-2-ylbutanoic acid;hydrochloride.

Molecular Properties

Compound Name1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;tert-butyl N-[(2S)-1-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate;deuterio(fluoro)methane;N,N-dimethylpyridin-4-amine;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;(2S)-4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-propan-2-ylbutanoic acid;hydrochloride
PubChem CID159668493
Molecular FormulaC71H112ClFN14O11
Molecular Weight1393.22 g/mol
Exact Mass1391.84
IUPAC Name1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;tert-butyl N-[(2S)-1-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate;deuterio(fluoro)methane;N,N-dimethylpyridin-4-amine;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;(2S)-4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-propan-2-ylbutanoic acid;hydrochloride
SMILESCC(C)[C@H](CC(=O)OC(C)(C)C)C(=O)O.CCN=C=NCCCN(C)C.CCOCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)O.CCOCc1nc2c(NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)nc3ccccc3c2n1CC(C)(C)O.CN(C)c1ccncc1.Cl.[2H]CF
InChIInChI=1S/C27H39N5O5.C17H22N4O2.C11H20O4.C8H17N3.C7H10N2.CH3F.ClH/c1-9-36-14-19-29-21-22(32(19)15-27(7,8)35)17-12-10-11-13-18(17)28-23(21)31-24(33)20(16(2)3)30-25(34)37-26(4,5)6;1-4-23-9-13-20-14-15(21(13)10-17(2,3)22)11-7-5-6-8-12(11)19-16(14)18;1-7(2)8(10(13)14)6-9(12)15-11(3,4)5;1-4-9-8-10-6-5-7-11(2)3;1-9(2)7-3-5-8-6-4-7;1-2;/h10-13,16,20,35H,9,14-15H2,1-8H3,(H,30,34)(H,28,31,33);5-8,22H,4,9-10H2,1-3H3,(H2,18,19);7-8H,6H2,1-5H3,(H,13,14);4-7H2,1-3H3;3-6H,1-2H3;1H3;1H/t20-;;8-;;;;/m0.0..../s1/i;;;;;1D;
InChIKeyXTKPAFWJEPERAU-HEIBEIPFSA-N
XLogP12.22
TPSA321.48 Ų
H-Bond Donors6
H-Bond Acceptors22
Rotatable Bonds24
Heavy Atoms98
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001393.22
LogP ≤ 512.22
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;tert-butyl N-[(2S)-1-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate;deuterio(fluoro)methane;N,N-dimethylpyridin-4-amine;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;(2S)-4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-propan-2-ylbutanoic acid;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;tert-butyl N-[(2S)-1-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate;deuterio(fluoro)methane;N,N-dimethylpyridin-4-amine;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;(2S)-4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-propan-2-ylbutanoic acid;hydrochloride?
The IUPAC name of 1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;tert-butyl N-[(2S)-1-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate;deuterio(fluoro)methane;N,N-dimethylpyridin-4-amine;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;(2S)-4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-propan-2-ylbutanoic acid;hydrochloride (CID 159668493) is 1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;tert-butyl N-[(2S)-1-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate;deuterio(fluoro)methane;N,N-dimethylpyridin-4-amine;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;(2S)-4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-propan-2-ylbutanoic acid;hydrochloride.
What is the SMILES notation for 1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;tert-butyl N-[(2S)-1-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate;deuterio(fluoro)methane;N,N-dimethylpyridin-4-amine;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;(2S)-4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-propan-2-ylbutanoic acid;hydrochloride?
The canonical SMILES for 1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;tert-butyl N-[(2S)-1-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate;deuterio(fluoro)methane;N,N-dimethylpyridin-4-amine;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;(2S)-4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-propan-2-ylbutanoic acid;hydrochloride is CC(C)[C@H](CC(=O)OC(C)(C)C)C(=O)O.CCN=C=NCCCN(C)C.CCOCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)O.CCOCc1nc2c(NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)nc3ccccc3c2n1CC(C)(C)O.CN(C)c1ccncc1.Cl.[2H]CF.
What is the InChIKey of 1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;tert-butyl N-[(2S)-1-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate;deuterio(fluoro)methane;N,N-dimethylpyridin-4-amine;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;(2S)-4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-propan-2-ylbutanoic acid;hydrochloride?
The InChIKey is XTKPAFWJEPERAU-HEIBEIPFSA-N. The full InChI is InChI=1S/C27H39N5O5.C17H22N4O2.C11H20O4.C8H17N3.C7H10N2.CH3F.ClH/c1-9-36-14-19-29-21-22(32(19)15-27(7,8)35)17-12-10-11-13-18(17)28-23(21)31-24(33)20(16(2)3)30-25(34)37-26(4,5)6;1-4-23-9-13-20-14-15(21(13)10-17(2,3)22)11-7-5-6-8-12(11)19-16(14)18;1-7(2)8(10(13)14)6-9(12)15-11(3,4)5;1-4-9-8-10-6-5-7-11(2)3;1-9(2)7-3-5-8-6-4-7;1-2;/h10-13,16,20,35H,9,14-15H2,1-8H3,(H,30,34)(H,28,31,33);5-8,22H,4,9-10H2,1-3H3,(H2,18,19);7-8H,6H2,1-5H3,(H,13,14);4-7H2,1-3H3;3-6H,1-2H3;1H3;1H/t20-;;8-;;;;/m0.0..../s1/i;;;;;1D;.
What are the key properties of 1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;tert-butyl N-[(2S)-1-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate;deuterio(fluoro)methane;N,N-dimethylpyridin-4-amine;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;(2S)-4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-propan-2-ylbutanoic acid;hydrochloride?
1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;tert-butyl N-[(2S)-1-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate;deuterio(fluoro)methane;N,N-dimethylpyridin-4-amine;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;(2S)-4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-propan-2-ylbutanoic acid;hydrochloride has a molecular weight of 1393.22 g/mol, XLogP of 12.22, 24 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;tert-butyl N-[(2S)-1-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate;deuterio(fluoro)methane;N,N-dimethylpyridin-4-amine;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;(2S)-4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-propan-2-ylbutanoic acid;hydrochloride is sourced from PubChem (CID 159668493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).