N-[[4-amino-7-(cyclopenten-1-yl)-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-ethylacetamide;2-[(dimethylamino)methyl]-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine;2-[[ethyl(methyl)amino]methyl]-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine;methyl 4-[2-[[acetyl(ethyl)amino]methyl]-4-amino-7-bromoimidazo[4,5-c]quinolin-1-yl]butanoate;methyl 4-[2-[[acetyl(ethyl)amino]methyl]-4-amino-7-chloroimidazo[4,5-c]quinolin-1-yl]butanoate

C111H126BrClN36O8 — CID 158862183

About N-[[4-amino-7-(cyclopenten-1-yl)-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-ethylacetamide;2-[(dimethylamino)methyl]-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine;2-[[ethyl(methyl)amino]methyl]-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine;methyl 4-[2-[[acetyl(ethyl)amino]methyl]-4-amino-7-bromoimidazo[4,5-c]quinolin-1-yl]butanoate;methyl 4-[2-[[acetyl(ethyl)amino]methyl]-4-amino-7-chloroimidazo[4,5-c]quinolin-1-yl]butanoate

N-[[4-amino-7-(cyclopenten-1-yl)-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-ethylacetamide;2-[(dimethylamino)methyl]-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine;2-[[ethyl(methyl)amino]methyl]-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine;methyl 4-[2-[[acetyl(ethyl)amino]methyl]-4-amino-7-bromoimidazo[4,5-c]quinolin-1-yl]butanoate;methyl 4-[2-[[acetyl(ethyl)amino]methyl]-4-amino-7-chloroimidazo[4,5-c]quinolin-1-yl]butanoate (PubChem CID 158862183) has the molecular formula C111H126BrClN36O8 and a molecular weight of 2207.83 g/mol. Its IUPAC name is N-[[4-amino-7-(cyclopenten-1-yl)-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-ethylacetamide;2-[(dimethylamino)methyl]-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine;2-[[ethyl(methyl)amino]methyl]-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine;methyl 4-[2-[[acetyl(ethyl)amino]methyl]-4-amino-7-bromoimidazo[4,5-c]quinolin-1-yl]butanoate;methyl 4-[2-[[acetyl(ethyl)amino]methyl]-4-amino-7-chloroimidazo[4,5-c]quinolin-1-yl]butanoate.

Molecular Properties

• Compound Name: N-[[4-amino-7-(cyclopenten-1-yl)-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-ethylacetamide;2-[(dimethylamino)methyl]-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine;2-[[ethyl(methyl)amino]methyl]-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine;methyl 4-[2-[[acetyl(ethyl)amino]methyl]-4-amino-7-bromoimidazo[4,5-c]quinolin-1-yl]butanoate;methyl 4-[2-[[acetyl(ethyl)amino]methyl]-4-amino-7-chloroimidazo[4,5-c]quinolin-1-yl]butanoate
• PubChem CID: 158862183
• Molecular Formula: C111H126BrClN36O8
• Molecular Weight: 2207.83 g/mol
• Exact Mass: 2204.94
• IUPAC Name: N-[[4-amino-7-(cyclopenten-1-yl)-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-ethylacetamide;2-[(dimethylamino)methyl]-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine;2-[[ethyl(methyl)amino]methyl]-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine;methyl 4-[2-[[acetyl(ethyl)amino]methyl]-4-amino-7-bromoimidazo[4,5-c]quinolin-1-yl]butanoate;methyl 4-[2-[[acetyl(ethyl)amino]methyl]-4-amino-7-chloroimidazo[4,5-c]quinolin-1-yl]butanoate
• SMILES: CCN(C)Cc1nc2c([nH]1)c(N)nc1cc(-c3ccn[nH]3)ccc12.CCN(Cc1nc2c(N)nc3cc(Br)ccc3c2n1CCCC(=O)OC)C(C)=O.CCN(Cc1nc2c(N)nc3cc(Cl)ccc3c2n1CCCC(=O)OC)C(C)=O.CCN(Cc1nc2c([nH]1)c(N)nc1cc(-n3cccn3)ccc12)C(C)=O.CCN(Cc1nc2c([nH]1)c(N)nc1cc(C3=CCCC3)ccc12)C(C)=O.CN(C)Cc1nc2c([nH]1)c(N)nc1cc(-c3ccn[nH]3)ccc12
• InChI: InChI=1S/C20H24BrN5O3.C20H24ClN5O3.C20H23N5O.C18H19N7O.C17H19N7.C16H17N7/c2*1-4-25(12(2)27)11-16-24-18-19(26(16)9-5-6-17(28)29-3)14-8-7-13(21)10-15(14)23-20(18)22;1-3-25(12(2)26)11-17-23-18-15-9-8-14(13-6-4-5-7-13)10-16(15)22-20(21)19(18)24-17;1-3-24(11(2)26)10-15-22-16-13-6-5-12(25-8-4-7-20-25)9-14(13)21-18(19)17(16)23-15;1-3-24(2)9-14-21-15-11-5-4-10(12-6-7-19-23-12)8-13(11)20-17(18)16(15)22-14;1-23(2)8-13-20-14-10-4-3-9(11-5-6-18-22-11)7-12(10)19-16(17)15(14)21-13/h2*7-8,10H,4-6,9,11H2,1-3H3,(H2,22,23);6,8-10H,3-5,7,11H2,1-2H3,(H2,21,22)(H,23,24);4-9H,3,10H2,1-2H3,(H2,19,21)(H,22,23);4-8H,3,9H2,1-2H3,(H2,18,20)(H,19,23)(H,21,22);3-7H,8H2,1-2H3,(H2,17,19)(H,18,22)(H,20,21)
• InChIKey: JAUDNHNMNRXLML-UHFFFAOYSA-N
• XLogP: 16.95
• TPSA: 599.32 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 34
• Rotatable Bonds: 29
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2207.83
LogP ≤ 5	16.95
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of N-[[4-amino-7-(cyclopenten-1-yl)-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-ethylacetamide;2-[(dimethylamino)methyl]-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine;2-[[ethyl(methyl)amino]methyl]-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine;methyl 4-[2-[[acetyl(ethyl)amino]methyl]-4-amino-7-bromoimidazo[4,5-c]quinolin-1-yl]butanoate;methyl 4-[2-[[acetyl(ethyl)amino]methyl]-4-amino-7-chloroimidazo[4,5-c]quinolin-1-yl]butanoate?

The IUPAC name of N-[[4-amino-7-(cyclopenten-1-yl)-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-ethylacetamide;2-[(dimethylamino)methyl]-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine;2-[[ethyl(methyl)amino]methyl]-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine;methyl 4-[2-[[acetyl(ethyl)amino]methyl]-4-amino-7-bromoimidazo[4,5-c]quinolin-1-yl]butanoate;methyl 4-[2-[[acetyl(ethyl)amino]methyl]-4-amino-7-chloroimidazo[4,5-c]quinolin-1-yl]butanoate (CID 158862183) is N-[[4-amino-7-(cyclopenten-1-yl)-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-ethylacetamide;2-[(dimethylamino)methyl]-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine;2-[[ethyl(methyl)amino]methyl]-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine;methyl 4-[2-[[acetyl(ethyl)amino]methyl]-4-amino-7-bromoimidazo[4,5-c]quinolin-1-yl]butanoate;methyl 4-[2-[[acetyl(ethyl)amino]methyl]-4-amino-7-chloroimidazo[4,5-c]quinolin-1-yl]butanoate.

What is the SMILES notation for N-[[4-amino-7-(cyclopenten-1-yl)-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-ethylacetamide;2-[(dimethylamino)methyl]-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine;2-[[ethyl(methyl)amino]methyl]-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine;methyl 4-[2-[[acetyl(ethyl)amino]methyl]-4-amino-7-bromoimidazo[4,5-c]quinolin-1-yl]butanoate;methyl 4-[2-[[acetyl(ethyl)amino]methyl]-4-amino-7-chloroimidazo[4,5-c]quinolin-1-yl]butanoate?

The canonical SMILES for N-[[4-amino-7-(cyclopenten-1-yl)-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-ethylacetamide;2-[(dimethylamino)methyl]-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine;2-[[ethyl(methyl)amino]methyl]-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine;methyl 4-[2-[[acetyl(ethyl)amino]methyl]-4-amino-7-bromoimidazo[4,5-c]quinolin-1-yl]butanoate;methyl 4-[2-[[acetyl(ethyl)amino]methyl]-4-amino-7-chloroimidazo[4,5-c]quinolin-1-yl]butanoate is CCN(C)Cc1nc2c([nH]1)c(N)nc1cc(-c3ccn[nH]3)ccc12.CCN(Cc1nc2c(N)nc3cc(Br)ccc3c2n1CCCC(=O)OC)C(C)=O.CCN(Cc1nc2c(N)nc3cc(Cl)ccc3c2n1CCCC(=O)OC)C(C)=O.CCN(Cc1nc2c([nH]1)c(N)nc1cc(-n3cccn3)ccc12)C(C)=O.CCN(Cc1nc2c([nH]1)c(N)nc1cc(C3=CCCC3)ccc12)C(C)=O.CN(C)Cc1nc2c([nH]1)c(N)nc1cc(-c3ccn[nH]3)ccc12.

What is the InChIKey of N-[[4-amino-7-(cyclopenten-1-yl)-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-ethylacetamide;2-[(dimethylamino)methyl]-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine;2-[[ethyl(methyl)amino]methyl]-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine;methyl 4-[2-[[acetyl(ethyl)amino]methyl]-4-amino-7-bromoimidazo[4,5-c]quinolin-1-yl]butanoate;methyl 4-[2-[[acetyl(ethyl)amino]methyl]-4-amino-7-chloroimidazo[4,5-c]quinolin-1-yl]butanoate?

The InChIKey is JAUDNHNMNRXLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrN5O3.C20H24ClN5O3.C20H23N5O.C18H19N7O.C17H19N7.C16H17N7/c2*1-4-25(12(2)27)11-16-24-18-19(26(16)9-5-6-17(28)29-3)14-8-7-13(21)10-15(14)23-20(18)22;1-3-25(12(2)26)11-17-23-18-15-9-8-14(13-6-4-5-7-13)10-16(15)22-20(21)19(18)24-17;1-3-24(11(2)26)10-15-22-16-13-6-5-12(25-8-4-7-20-25)9-14(13)21-18(19)17(16)23-15;1-3-24(2)9-14-21-15-11-5-4-10(12-6-7-19-23-12)8-13(11)20-17(18)16(15)22-14;1-23(2)8-13-20-14-10-4-3-9(11-5-6-18-22-11)7-12(10)19-16(17)15(14)21-13/h2*7-8,10H,4-6,9,11H2,1-3H3,(H2,22,23);6,8-10H,3-5,7,11H2,1-2H3,(H2,21,22)(H,23,24);4-9H,3,10H2,1-2H3,(H2,19,21)(H,22,23);4-8H,3,9H2,1-2H3,(H2,18,20)(H,19,23)(H,21,22);3-7H,8H2,1-2H3,(H2,17,19)(H,18,22)(H,20,21).

What are the key properties of N-[[4-amino-7-(cyclopenten-1-yl)-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-ethylacetamide;2-[(dimethylamino)methyl]-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine;2-[[ethyl(methyl)amino]methyl]-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine;methyl 4-[2-[[acetyl(ethyl)amino]methyl]-4-amino-7-bromoimidazo[4,5-c]quinolin-1-yl]butanoate;methyl 4-[2-[[acetyl(ethyl)amino]methyl]-4-amino-7-chloroimidazo[4,5-c]quinolin-1-yl]butanoate?

N-[[4-amino-7-(cyclopenten-1-yl)-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-ethylacetamide;2-[(dimethylamino)methyl]-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine;2-[[ethyl(methyl)amino]methyl]-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine;methyl 4-[2-[[acetyl(ethyl)amino]methyl]-4-amino-7-bromoimidazo[4,5-c]quinolin-1-yl]butanoate;methyl 4-[2-[[acetyl(ethyl)amino]methyl]-4-amino-7-chloroimidazo[4,5-c]quinolin-1-yl]butanoate has a molecular weight of 2207.83 g/mol, XLogP of 16.95, 29 rotatable bonds, 12 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-amino-7-(cyclopenten-1-yl)-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-ethylacetamide;2-[(dimethylamino)methyl]-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine;2-[[ethyl(methyl)amino]methyl]-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine;methyl 4-[2-[[acetyl(ethyl)amino]methyl]-4-amino-7-bromoimidazo[4,5-c]quinolin-1-yl]butanoate;methyl 4-[2-[[acetyl(ethyl)amino]methyl]-4-amino-7-chloroimidazo[4,5-c]quinolin-1-yl]butanoate is sourced from PubChem (CID 158862183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).