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

C91H104N34O7S — CID 160729058

IUPACN-[(4-amino-7-methyl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylacetamide;N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide;1-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-1-ethyl-3,3-dimethylurea;N-[(4-amino-7-pyrazol-1-yl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylmethanesulfonamide;tert-butyl N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylcarbamate
SMILESCCN(Cc1nc2c([nH]1)c(N)nc1cc(-c3ccn[nH]3)ccc12)C(=O)N(C)C.CCN(Cc1nc2c([nH]1)c(N)nc1cc(-c3ccn[nH]3)ccc12)C(=O)OC(C)(C)C.CCN(Cc1nc2c([nH]1)c(N)nc1cc(-c3ccn[nH]3)ccc12)C(C)=O.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
InChIInChI=1S/C21H25N7O2.C19H22N8O.C18H19N7O.C17H19N7O2S.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;1-4-27(19(28)26(2)3)10-15-23-16-12-6-5-11(13-7-8-21-25-13)9-14(12)22-18(20)17(16)24-15;1-3-25(10(2)26)9-15-22-16-12-5-4-11(13-6-7-20-24-13)8-14(12)21-18(19)17(16)23-15;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;1-4-21(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);5-9H,4,10H2,1-3H3,(H2,20,22)(H,21,25)(H,23,24);4-8H,3,9H2,1-2H3,(H2,19,21)(H,20,24)(H,22,23);4-9H,3,10H2,1-2H3,(H2,18,20)(H,21,22);5-7H,4,8H2,1-3H3,(H2,17,18)(H,19,20)
InChIKeyRUBYJZGXTFTQTN-UHFFFAOYSA-N
MW1818.13 g/mol
LogP12.91
Rot. Bonds20

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

N-[(4-amino-7-methyl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylacetamide;N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide;1-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-1-ethyl-3,3-dimethylurea;N-[(4-amino-7-pyrazol-1-yl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylmethanesulfonamide;tert-butyl N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylcarbamate (PubChem CID 160729058) has the molecular formula C91H104N34O7S and a molecular weight of 1818.13 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-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide;1-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-1-ethyl-3,3-dimethylurea;N-[(4-amino-7-pyrazol-1-yl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylmethanesulfonamide;tert-butyl N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylcarbamate.

Molecular Properties

Compound NameN-[(4-amino-7-methyl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylacetamide;N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide;1-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-1-ethyl-3,3-dimethylurea;N-[(4-amino-7-pyrazol-1-yl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylmethanesulfonamide;tert-butyl N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylcarbamate
PubChem CID160729058
Molecular FormulaC91H104N34O7S
Molecular Weight1818.13 g/mol
Exact Mass1816.85
IUPAC NameN-[(4-amino-7-methyl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylacetamide;N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide;1-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-1-ethyl-3,3-dimethylurea;N-[(4-amino-7-pyrazol-1-yl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylmethanesulfonamide;tert-butyl N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylcarbamate
SMILESCCN(Cc1nc2c([nH]1)c(N)nc1cc(-c3ccn[nH]3)ccc12)C(=O)N(C)C.CCN(Cc1nc2c([nH]1)c(N)nc1cc(-c3ccn[nH]3)ccc12)C(=O)OC(C)(C)C.CCN(Cc1nc2c([nH]1)c(N)nc1cc(-c3ccn[nH]3)ccc12)C(C)=O.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
InChIInChI=1S/C21H25N7O2.C19H22N8O.C18H19N7O.C17H19N7O2S.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;1-4-27(19(28)26(2)3)10-15-23-16-12-6-5-11(13-7-8-21-25-13)9-14(12)22-18(20)17(16)24-15;1-3-25(10(2)26)9-15-22-16-12-5-4-11(13-6-7-20-24-13)8-14(12)21-18(19)17(16)23-15;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;1-4-21(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);5-9H,4,10H2,1-3H3,(H2,20,22)(H,21,25)(H,23,24);4-8H,3,9H2,1-2H3,(H2,19,21)(H,20,24)(H,22,23);4-9H,3,10H2,1-2H3,(H2,18,20)(H,21,22);5-7H,4,8H2,1-3H3,(H2,17,18)(H,19,20)
InChIKeyRUBYJZGXTFTQTN-UHFFFAOYSA-N
XLogP12.91
TPSA572.90 Ų
H-Bond Donors13
H-Bond Acceptors27
Rotatable Bonds20
Heavy Atoms133
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001818.13
LogP ≤ 512.91
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1027

Analyze N-[(4-amino-7-methyl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylacetamide;N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide;1-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-1-ethyl-3,3-dimethylurea;N-[(4-amino-7-pyrazol-1-yl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylmethanesulfonamide;tert-butyl N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylcarbamate 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-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide;1-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-1-ethyl-3,3-dimethylurea;N-[(4-amino-7-pyrazol-1-yl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylmethanesulfonamide;tert-butyl N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylcarbamate?
The IUPAC name of N-[(4-amino-7-methyl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylacetamide;N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide;1-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-1-ethyl-3,3-dimethylurea;N-[(4-amino-7-pyrazol-1-yl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylmethanesulfonamide;tert-butyl N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylcarbamate (CID 160729058) is N-[(4-amino-7-methyl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylacetamide;N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide;1-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-1-ethyl-3,3-dimethylurea;N-[(4-amino-7-pyrazol-1-yl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylmethanesulfonamide;tert-butyl N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylcarbamate.
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-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide;1-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-1-ethyl-3,3-dimethylurea;N-[(4-amino-7-pyrazol-1-yl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylmethanesulfonamide;tert-butyl N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylcarbamate?
The canonical SMILES for N-[(4-amino-7-methyl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylacetamide;N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide;1-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-1-ethyl-3,3-dimethylurea;N-[(4-amino-7-pyrazol-1-yl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylmethanesulfonamide;tert-butyl N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylcarbamate is CCN(Cc1nc2c([nH]1)c(N)nc1cc(-c3ccn[nH]3)ccc12)C(=O)N(C)C.CCN(Cc1nc2c([nH]1)c(N)nc1cc(-c3ccn[nH]3)ccc12)C(=O)OC(C)(C)C.CCN(Cc1nc2c([nH]1)c(N)nc1cc(-c3ccn[nH]3)ccc12)C(C)=O.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.
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-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide;1-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-1-ethyl-3,3-dimethylurea;N-[(4-amino-7-pyrazol-1-yl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylmethanesulfonamide;tert-butyl N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylcarbamate?
The InChIKey is RUBYJZGXTFTQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7O2.C19H22N8O.C18H19N7O.C17H19N7O2S.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;1-4-27(19(28)26(2)3)10-15-23-16-12-6-5-11(13-7-8-21-25-13)9-14(12)22-18(20)17(16)24-15;1-3-25(10(2)26)9-15-22-16-12-5-4-11(13-6-7-20-24-13)8-14(12)21-18(19)17(16)23-15;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;1-4-21(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);5-9H,4,10H2,1-3H3,(H2,20,22)(H,21,25)(H,23,24);4-8H,3,9H2,1-2H3,(H2,19,21)(H,20,24)(H,22,23);4-9H,3,10H2,1-2H3,(H2,18,20)(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-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide;1-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-1-ethyl-3,3-dimethylurea;N-[(4-amino-7-pyrazol-1-yl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylmethanesulfonamide;tert-butyl N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylcarbamate?
N-[(4-amino-7-methyl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylacetamide;N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide;1-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-1-ethyl-3,3-dimethylurea;N-[(4-amino-7-pyrazol-1-yl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylmethanesulfonamide;tert-butyl N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylcarbamate has a molecular weight of 1818.13 g/mol, XLogP of 12.91, 20 rotatable bonds, 13 hydrogen bond donors, and 27 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-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide;1-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-1-ethyl-3,3-dimethylurea;N-[(4-amino-7-pyrazol-1-yl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylmethanesulfonamide;tert-butyl N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylcarbamate is sourced from PubChem (CID 160729058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).