N-[[4-amino-7-(1H-pyrazol-5-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

C91H103BrClN31O7 — CID 167702030

About N-[[4-amino-7-(1H-pyrazol-5-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-(1H-pyrazol-5-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 167702030) has the molecular formula C91H103BrClN31O7 and a molecular weight of 1858.39 g/mol. Its IUPAC name is N-[[4-amino-7-(1H-pyrazol-5-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-(1H-pyrazol-5-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: 167702030
• Molecular Formula: C91H103BrClN31O7
• Molecular Weight: 1858.39 g/mol
• Exact Mass: 1855.75
• IUPAC Name: N-[[4-amino-7-(1H-pyrazol-5-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(-c3ccn[nH]3)ccc12)C(C)=O.CN(C)Cc1nc2c([nH]1)c(N)nc1cc(-c3ccn[nH]3)ccc12
• InChI: InChI=1S/C20H24BrN5O3.C20H24ClN5O3.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(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;1-3-24(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);4-8H,3,9H2,1-2H3,(H2,19,21)(H,20,24)(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: YNPIKOZXZVLDEL-UHFFFAOYSA-N
• XLogP: 13.52
• TPSA: 522.28 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 29
• Rotatable Bonds: 25
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1858.39
LogP ≤ 5	13.52
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of N-[[4-amino-7-(1H-pyrazol-5-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-(1H-pyrazol-5-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 167702030) is N-[[4-amino-7-(1H-pyrazol-5-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-(1H-pyrazol-5-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-(1H-pyrazol-5-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(-c3ccn[nH]3)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-(1H-pyrazol-5-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 YNPIKOZXZVLDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrN5O3.C20H24ClN5O3.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(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;1-3-24(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);4-8H,3,9H2,1-2H3,(H2,19,21)(H,20,24)(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-(1H-pyrazol-5-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-(1H-pyrazol-5-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 1858.39 g/mol, XLogP of 13.52, 25 rotatable bonds, 11 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-amino-7-(1H-pyrazol-5-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 167702030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).