N-[(4-amino-7-methyl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylacetamide;N-[(4-amino-7-pyrazol-1-yl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylmethanesulfonamide;N-[(4-amino-7-pyrazol-1-yl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-methylacetamide;tert-butyl N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylcarbamate;2-(ethylaminomethyl)-1-methyl-7-(1H-pyrazol-5-yl)imidazo[4,5-c]quinolin-4-amine;2-(ethylaminomethyl)-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine

C104H116N40O6S — CID 159250037

IUPACN-[(4-amino-7-methyl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylacetamide;N-[(4-amino-7-pyrazol-1-yl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylmethanesulfonamide;N-[(4-amino-7-pyrazol-1-yl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-methylacetamide;tert-butyl N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylcarbamate;2-(ethylaminomethyl)-1-methyl-7-(1H-pyrazol-5-yl)imidazo[4,5-c]quinolin-4-amine;2-(ethylaminomethyl)-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine
SMILESCC(=O)N(C)Cc1nc2c([nH]1)c(N)nc1cc(-n3cccn3)ccc12.CCN(Cc1nc2c([nH]1)c(N)nc1cc(-c3ccn[nH]3)ccc12)C(=O)OC(C)(C)C.CCN(Cc1nc2c([nH]1)c(N)nc1cc(-n3cccn3)ccc12)S(C)(=O)=O.CCN(Cc1nc2c([nH]1)c(N)nc1cc(C)ccc12)C(C)=O.CCNCc1nc2c(N)nc3cc(-c4ccn[nH]4)ccc3c2n1C.CCNCc1nc2c([nH]1)c(N)nc1cc(-c3ccn[nH]3)ccc12
InChIInChI=1S/C21H25N7O2.C17H19N7O2S.C17H17N7O.C17H19N7.C16H17N7.C16H19N5O/c1-5-28(20(29)30-21(2,3)4)11-16-25-17-13-7-6-12(14-8-9-23-27-14)10-15(13)24-19(22)18(17)26-16;1-3-23(27(2,25)26)10-14-21-15-12-6-5-11(24-8-4-7-19-24)9-13(12)20-17(18)16(15)22-14;1-10(25)23(2)9-14-21-15-12-5-4-11(24-7-3-6-19-24)8-13(12)20-17(18)16(15)22-14;1-3-19-9-14-22-15-16(24(14)2)11-5-4-10(12-6-7-20-23-12)8-13(11)21-17(15)18;1-2-18-8-13-21-14-10-4-3-9(11-5-6-19-23-11)7-12(10)20-16(17)15(14)22-13;1-4-21(10(3)22)8-13-19-14-11-6-5-9(2)7-12(11)18-16(17)15(14)20-13/h6-10H,5,11H2,1-4H3,(H2,22,24)(H,23,27)(H,25,26);4-9H,3,10H2,1-2H3,(H2,18,20)(H,21,22);3-8H,9H2,1-2H3,(H2,18,20)(H,21,22);4-8,19H,3,9H2,1-2H3,(H2,18,21)(H,20,23);3-7,18H,2,8H2,1H3,(H2,17,20)(H,19,23)(H,21,22);5-7H,4,8H2,1-3H3,(H2,17,18)(H,19,20)
InChIKeyKVEGQDZKYFPUFR-UHFFFAOYSA-N
MW2054.41 g/mol
LogP14.12
Rot. Bonds23

About N-[(4-amino-7-methyl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylacetamide;N-[(4-amino-7-pyrazol-1-yl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylmethanesulfonamide;N-[(4-amino-7-pyrazol-1-yl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-methylacetamide;tert-butyl N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylcarbamate;2-(ethylaminomethyl)-1-methyl-7-(1H-pyrazol-5-yl)imidazo[4,5-c]quinolin-4-amine;2-(ethylaminomethyl)-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine

N-[(4-amino-7-methyl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylacetamide;N-[(4-amino-7-pyrazol-1-yl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylmethanesulfonamide;N-[(4-amino-7-pyrazol-1-yl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-methylacetamide;tert-butyl N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylcarbamate;2-(ethylaminomethyl)-1-methyl-7-(1H-pyrazol-5-yl)imidazo[4,5-c]quinolin-4-amine;2-(ethylaminomethyl)-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine (PubChem CID 159250037) has the molecular formula C104H116N40O6S and a molecular weight of 2054.41 g/mol. Its IUPAC name is N-[(4-amino-7-methyl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylacetamide;N-[(4-amino-7-pyrazol-1-yl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylmethanesulfonamide;N-[(4-amino-7-pyrazol-1-yl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-methylacetamide;tert-butyl N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylcarbamate;2-(ethylaminomethyl)-1-methyl-7-(1H-pyrazol-5-yl)imidazo[4,5-c]quinolin-4-amine;2-(ethylaminomethyl)-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine.

Molecular Properties

Compound NameN-[(4-amino-7-methyl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylacetamide;N-[(4-amino-7-pyrazol-1-yl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylmethanesulfonamide;N-[(4-amino-7-pyrazol-1-yl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-methylacetamide;tert-butyl N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylcarbamate;2-(ethylaminomethyl)-1-methyl-7-(1H-pyrazol-5-yl)imidazo[4,5-c]quinolin-4-amine;2-(ethylaminomethyl)-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine
PubChem CID159250037
Molecular FormulaC104H116N40O6S
Molecular Weight2054.41 g/mol
Exact Mass2052.97
IUPAC NameN-[(4-amino-7-methyl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylacetamide;N-[(4-amino-7-pyrazol-1-yl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylmethanesulfonamide;N-[(4-amino-7-pyrazol-1-yl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-methylacetamide;tert-butyl N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylcarbamate;2-(ethylaminomethyl)-1-methyl-7-(1H-pyrazol-5-yl)imidazo[4,5-c]quinolin-4-amine;2-(ethylaminomethyl)-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine
SMILESCC(=O)N(C)Cc1nc2c([nH]1)c(N)nc1cc(-n3cccn3)ccc12.CCN(Cc1nc2c([nH]1)c(N)nc1cc(-c3ccn[nH]3)ccc12)C(=O)OC(C)(C)C.CCN(Cc1nc2c([nH]1)c(N)nc1cc(-n3cccn3)ccc12)S(C)(=O)=O.CCN(Cc1nc2c([nH]1)c(N)nc1cc(C)ccc12)C(C)=O.CCNCc1nc2c(N)nc3cc(-c4ccn[nH]4)ccc3c2n1C.CCNCc1nc2c([nH]1)c(N)nc1cc(-c3ccn[nH]3)ccc12
InChIInChI=1S/C21H25N7O2.C17H19N7O2S.C17H17N7O.C17H19N7.C16H17N7.C16H19N5O/c1-5-28(20(29)30-21(2,3)4)11-16-25-17-13-7-6-12(14-8-9-23-27-14)10-15(13)24-19(22)18(17)26-16;1-3-23(27(2,25)26)10-14-21-15-12-6-5-11(24-8-4-7-19-24)9-13(12)20-17(18)16(15)22-14;1-10(25)23(2)9-14-21-15-12-5-4-11(24-7-3-6-19-24)8-13(12)20-17(18)16(15)22-14;1-3-19-9-14-22-15-16(24(14)2)11-5-4-10(12-6-7-20-23-12)8-13(11)21-17(15)18;1-2-18-8-13-21-14-10-4-3-9(11-5-6-19-23-11)7-12(10)20-16(17)15(14)22-13;1-4-21(10(3)22)8-13-19-14-11-6-5-9(2)7-12(11)18-16(17)15(14)20-13/h6-10H,5,11H2,1-4H3,(H2,22,24)(H,23,27)(H,25,26);4-9H,3,10H2,1-2H3,(H2,18,20)(H,21,22);3-8H,9H2,1-2H3,(H2,18,20)(H,21,22);4-8,19H,3,9H2,1-2H3,(H2,18,21)(H,20,23);3-7,18H,2,8H2,1H3,(H2,17,20)(H,19,23)(H,21,22);5-7H,4,8H2,1-3H3,(H2,17,18)(H,19,20)
InChIKeyKVEGQDZKYFPUFR-UHFFFAOYSA-N
XLogP14.12
TPSA647.96 Ų
H-Bond Donors16
H-Bond Acceptors34
Rotatable Bonds23
Heavy Atoms151
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002054.41
LogP ≤ 514.12
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1034

Analyze N-[(4-amino-7-methyl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylacetamide;N-[(4-amino-7-pyrazol-1-yl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylmethanesulfonamide;N-[(4-amino-7-pyrazol-1-yl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-methylacetamide;tert-butyl N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylcarbamate;2-(ethylaminomethyl)-1-methyl-7-(1H-pyrazol-5-yl)imidazo[4,5-c]quinolin-4-amine;2-(ethylaminomethyl)-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(4-amino-7-methyl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylacetamide;N-[(4-amino-7-pyrazol-1-yl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylmethanesulfonamide;N-[(4-amino-7-pyrazol-1-yl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-methylacetamide;tert-butyl N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylcarbamate;2-(ethylaminomethyl)-1-methyl-7-(1H-pyrazol-5-yl)imidazo[4,5-c]quinolin-4-amine;2-(ethylaminomethyl)-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine?
The IUPAC name of N-[(4-amino-7-methyl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylacetamide;N-[(4-amino-7-pyrazol-1-yl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylmethanesulfonamide;N-[(4-amino-7-pyrazol-1-yl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-methylacetamide;tert-butyl N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylcarbamate;2-(ethylaminomethyl)-1-methyl-7-(1H-pyrazol-5-yl)imidazo[4,5-c]quinolin-4-amine;2-(ethylaminomethyl)-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine (CID 159250037) is N-[(4-amino-7-methyl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylacetamide;N-[(4-amino-7-pyrazol-1-yl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylmethanesulfonamide;N-[(4-amino-7-pyrazol-1-yl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-methylacetamide;tert-butyl N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylcarbamate;2-(ethylaminomethyl)-1-methyl-7-(1H-pyrazol-5-yl)imidazo[4,5-c]quinolin-4-amine;2-(ethylaminomethyl)-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine.
What is the SMILES notation for N-[(4-amino-7-methyl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylacetamide;N-[(4-amino-7-pyrazol-1-yl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylmethanesulfonamide;N-[(4-amino-7-pyrazol-1-yl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-methylacetamide;tert-butyl N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylcarbamate;2-(ethylaminomethyl)-1-methyl-7-(1H-pyrazol-5-yl)imidazo[4,5-c]quinolin-4-amine;2-(ethylaminomethyl)-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine?
The canonical SMILES for N-[(4-amino-7-methyl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylacetamide;N-[(4-amino-7-pyrazol-1-yl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylmethanesulfonamide;N-[(4-amino-7-pyrazol-1-yl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-methylacetamide;tert-butyl N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylcarbamate;2-(ethylaminomethyl)-1-methyl-7-(1H-pyrazol-5-yl)imidazo[4,5-c]quinolin-4-amine;2-(ethylaminomethyl)-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine is CC(=O)N(C)Cc1nc2c([nH]1)c(N)nc1cc(-n3cccn3)ccc12.CCN(Cc1nc2c([nH]1)c(N)nc1cc(-c3ccn[nH]3)ccc12)C(=O)OC(C)(C)C.CCN(Cc1nc2c([nH]1)c(N)nc1cc(-n3cccn3)ccc12)S(C)(=O)=O.CCN(Cc1nc2c([nH]1)c(N)nc1cc(C)ccc12)C(C)=O.CCNCc1nc2c(N)nc3cc(-c4ccn[nH]4)ccc3c2n1C.CCNCc1nc2c([nH]1)c(N)nc1cc(-c3ccn[nH]3)ccc12.
What is the InChIKey of N-[(4-amino-7-methyl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylacetamide;N-[(4-amino-7-pyrazol-1-yl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylmethanesulfonamide;N-[(4-amino-7-pyrazol-1-yl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-methylacetamide;tert-butyl N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylcarbamate;2-(ethylaminomethyl)-1-methyl-7-(1H-pyrazol-5-yl)imidazo[4,5-c]quinolin-4-amine;2-(ethylaminomethyl)-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine?
The InChIKey is KVEGQDZKYFPUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7O2.C17H19N7O2S.C17H17N7O.C17H19N7.C16H17N7.C16H19N5O/c1-5-28(20(29)30-21(2,3)4)11-16-25-17-13-7-6-12(14-8-9-23-27-14)10-15(13)24-19(22)18(17)26-16;1-3-23(27(2,25)26)10-14-21-15-12-6-5-11(24-8-4-7-19-24)9-13(12)20-17(18)16(15)22-14;1-10(25)23(2)9-14-21-15-12-5-4-11(24-7-3-6-19-24)8-13(12)20-17(18)16(15)22-14;1-3-19-9-14-22-15-16(24(14)2)11-5-4-10(12-6-7-20-23-12)8-13(11)21-17(15)18;1-2-18-8-13-21-14-10-4-3-9(11-5-6-19-23-11)7-12(10)20-16(17)15(14)22-13;1-4-21(10(3)22)8-13-19-14-11-6-5-9(2)7-12(11)18-16(17)15(14)20-13/h6-10H,5,11H2,1-4H3,(H2,22,24)(H,23,27)(H,25,26);4-9H,3,10H2,1-2H3,(H2,18,20)(H,21,22);3-8H,9H2,1-2H3,(H2,18,20)(H,21,22);4-8,19H,3,9H2,1-2H3,(H2,18,21)(H,20,23);3-7,18H,2,8H2,1H3,(H2,17,20)(H,19,23)(H,21,22);5-7H,4,8H2,1-3H3,(H2,17,18)(H,19,20).
What are the key properties of N-[(4-amino-7-methyl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylacetamide;N-[(4-amino-7-pyrazol-1-yl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylmethanesulfonamide;N-[(4-amino-7-pyrazol-1-yl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-methylacetamide;tert-butyl N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylcarbamate;2-(ethylaminomethyl)-1-methyl-7-(1H-pyrazol-5-yl)imidazo[4,5-c]quinolin-4-amine;2-(ethylaminomethyl)-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine?
N-[(4-amino-7-methyl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylacetamide;N-[(4-amino-7-pyrazol-1-yl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylmethanesulfonamide;N-[(4-amino-7-pyrazol-1-yl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-methylacetamide;tert-butyl N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylcarbamate;2-(ethylaminomethyl)-1-methyl-7-(1H-pyrazol-5-yl)imidazo[4,5-c]quinolin-4-amine;2-(ethylaminomethyl)-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine has a molecular weight of 2054.41 g/mol, XLogP of 14.12, 23 rotatable bonds, 16 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-amino-7-methyl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylacetamide;N-[(4-amino-7-pyrazol-1-yl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylmethanesulfonamide;N-[(4-amino-7-pyrazol-1-yl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-methylacetamide;tert-butyl N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylcarbamate;2-(ethylaminomethyl)-1-methyl-7-(1H-pyrazol-5-yl)imidazo[4,5-c]quinolin-4-amine;2-(ethylaminomethyl)-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 159250037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).