[4-[4-amino-2-[(2-methylidenepyrrolidin-1-yl)methyl]-3H-imidazo[4,5-c]quinolin-7-yl]phenyl]methanol;7-(3-methoxyphenyl)-2-[(2-methylidenepyrrolidin-1-yl)methyl]-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepyrrolidin-1-yl)methyl]-7-(4-methylphenyl)-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepyrrolidin-1-yl)methyl]-7-thiophen-2-yl-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepyrrolidin-1-yl)methyl]-7-thiophen-3-yl-3H-imidazo[4,5-c]quinolin-4-amine

C109H107N25O2S2 — CID 159360258

About [4-[4-amino-2-[(2-methylidenepyrrolidin-1-yl)methyl]-3H-imidazo[4,5-c]quinolin-7-yl]phenyl]methanol;7-(3-methoxyphenyl)-2-[(2-methylidenepyrrolidin-1-yl)methyl]-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepyrrolidin-1-yl)methyl]-7-(4-methylphenyl)-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepyrrolidin-1-yl)methyl]-7-thiophen-2-yl-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepyrrolidin-1-yl)methyl]-7-thiophen-3-yl-3H-imidazo[4,5-c]quinolin-4-amine

[4-[4-amino-2-[(2-methylidenepyrrolidin-1-yl)methyl]-3H-imidazo[4,5-c]quinolin-7-yl]phenyl]methanol;7-(3-methoxyphenyl)-2-[(2-methylidenepyrrolidin-1-yl)methyl]-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepyrrolidin-1-yl)methyl]-7-(4-methylphenyl)-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepyrrolidin-1-yl)methyl]-7-thiophen-2-yl-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepyrrolidin-1-yl)methyl]-7-thiophen-3-yl-3H-imidazo[4,5-c]quinolin-4-amine (PubChem CID 159360258) has the molecular formula C109H107N25O2S2 and a molecular weight of 1863.36 g/mol. Its IUPAC name is [4-[4-amino-2-[(2-methylidenepyrrolidin-1-yl)methyl]-3H-imidazo[4,5-c]quinolin-7-yl]phenyl]methanol;7-(3-methoxyphenyl)-2-[(2-methylidenepyrrolidin-1-yl)methyl]-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepyrrolidin-1-yl)methyl]-7-(4-methylphenyl)-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepyrrolidin-1-yl)methyl]-7-thiophen-2-yl-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepyrrolidin-1-yl)methyl]-7-thiophen-3-yl-3H-imidazo[4,5-c]quinolin-4-amine.

Molecular Properties

• Compound Name: [4-[4-amino-2-[(2-methylidenepyrrolidin-1-yl)methyl]-3H-imidazo[4,5-c]quinolin-7-yl]phenyl]methanol;7-(3-methoxyphenyl)-2-[(2-methylidenepyrrolidin-1-yl)methyl]-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepyrrolidin-1-yl)methyl]-7-(4-methylphenyl)-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepyrrolidin-1-yl)methyl]-7-thiophen-2-yl-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepyrrolidin-1-yl)methyl]-7-thiophen-3-yl-3H-imidazo[4,5-c]quinolin-4-amine
• PubChem CID: 159360258
• Molecular Formula: C109H107N25O2S2
• Molecular Weight: 1863.36 g/mol
• Exact Mass: 1861.85
• IUPAC Name: [4-[4-amino-2-[(2-methylidenepyrrolidin-1-yl)methyl]-3H-imidazo[4,5-c]quinolin-7-yl]phenyl]methanol;7-(3-methoxyphenyl)-2-[(2-methylidenepyrrolidin-1-yl)methyl]-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepyrrolidin-1-yl)methyl]-7-(4-methylphenyl)-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepyrrolidin-1-yl)methyl]-7-thiophen-2-yl-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepyrrolidin-1-yl)methyl]-7-thiophen-3-yl-3H-imidazo[4,5-c]quinolin-4-amine
• SMILES: C=C1CCCN1Cc1nc2c([nH]1)c(N)nc1cc(-c3ccc(C)cc3)ccc12.C=C1CCCN1Cc1nc2c([nH]1)c(N)nc1cc(-c3ccc(CO)cc3)ccc12.C=C1CCCN1Cc1nc2c([nH]1)c(N)nc1cc(-c3cccc(OC)c3)ccc12.C=C1CCCN1Cc1nc2c([nH]1)c(N)nc1cc(-c3cccs3)ccc12.C=C1CCCN1Cc1nc2c([nH]1)c(N)nc1cc(-c3ccsc3)ccc12
• InChI: InChI=1S/2C23H23N5O.C23H23N5.2C20H19N5S/c1-14-5-4-10-28(14)13-20-26-21-18-9-8-16(15-6-3-7-17(11-15)29-2)12-19(18)25-23(24)22(21)27-20;1-14-3-2-10-28(14)12-20-26-21-18-9-8-17(16-6-4-15(13-29)5-7-16)11-19(18)25-23(24)22(21)27-20;1-14-5-7-16(8-6-14)17-9-10-18-19(12-17)25-23(24)22-21(18)26-20(27-22)13-28-11-3-4-15(28)2;1-12-4-2-8-25(12)11-17-23-18-14-7-6-13(16-5-3-9-26-16)10-15(14)22-20(21)19(18)24-17;1-12-3-2-7-25(12)10-17-23-18-15-5-4-13(14-6-8-26-11-14)9-16(15)22-20(21)19(18)24-17/h3,6-9,11-12H,1,4-5,10,13H2,2H3,(H2,24,25)(H,26,27);4-9,11,29H,1-3,10,12-13H2,(H2,24,25)(H,26,27);5-10,12H,2-4,11,13H2,1H3,(H2,24,25)(H,26,27);3,5-7,9-10H,1-2,4,8,11H2,(H2,21,22)(H,23,24);4-6,8-9,11H,1-3,7,10H2,(H2,21,22)(H,23,24)
• InChIKey: LILHCTSHHBDEOU-UHFFFAOYSA-N
• XLogP: 22.28
• TPSA: 383.61 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 24
• Rotatable Bonds: 17
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1863.36
LogP ≤ 5	22.28
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of [4-[4-amino-2-[(2-methylidenepyrrolidin-1-yl)methyl]-3H-imidazo[4,5-c]quinolin-7-yl]phenyl]methanol;7-(3-methoxyphenyl)-2-[(2-methylidenepyrrolidin-1-yl)methyl]-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepyrrolidin-1-yl)methyl]-7-(4-methylphenyl)-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepyrrolidin-1-yl)methyl]-7-thiophen-2-yl-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepyrrolidin-1-yl)methyl]-7-thiophen-3-yl-3H-imidazo[4,5-c]quinolin-4-amine?

The IUPAC name of [4-[4-amino-2-[(2-methylidenepyrrolidin-1-yl)methyl]-3H-imidazo[4,5-c]quinolin-7-yl]phenyl]methanol;7-(3-methoxyphenyl)-2-[(2-methylidenepyrrolidin-1-yl)methyl]-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepyrrolidin-1-yl)methyl]-7-(4-methylphenyl)-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepyrrolidin-1-yl)methyl]-7-thiophen-2-yl-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepyrrolidin-1-yl)methyl]-7-thiophen-3-yl-3H-imidazo[4,5-c]quinolin-4-amine (CID 159360258) is [4-[4-amino-2-[(2-methylidenepyrrolidin-1-yl)methyl]-3H-imidazo[4,5-c]quinolin-7-yl]phenyl]methanol;7-(3-methoxyphenyl)-2-[(2-methylidenepyrrolidin-1-yl)methyl]-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepyrrolidin-1-yl)methyl]-7-(4-methylphenyl)-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepyrrolidin-1-yl)methyl]-7-thiophen-2-yl-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepyrrolidin-1-yl)methyl]-7-thiophen-3-yl-3H-imidazo[4,5-c]quinolin-4-amine.

What is the SMILES notation for [4-[4-amino-2-[(2-methylidenepyrrolidin-1-yl)methyl]-3H-imidazo[4,5-c]quinolin-7-yl]phenyl]methanol;7-(3-methoxyphenyl)-2-[(2-methylidenepyrrolidin-1-yl)methyl]-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepyrrolidin-1-yl)methyl]-7-(4-methylphenyl)-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepyrrolidin-1-yl)methyl]-7-thiophen-2-yl-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepyrrolidin-1-yl)methyl]-7-thiophen-3-yl-3H-imidazo[4,5-c]quinolin-4-amine?

The canonical SMILES for [4-[4-amino-2-[(2-methylidenepyrrolidin-1-yl)methyl]-3H-imidazo[4,5-c]quinolin-7-yl]phenyl]methanol;7-(3-methoxyphenyl)-2-[(2-methylidenepyrrolidin-1-yl)methyl]-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepyrrolidin-1-yl)methyl]-7-(4-methylphenyl)-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepyrrolidin-1-yl)methyl]-7-thiophen-2-yl-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepyrrolidin-1-yl)methyl]-7-thiophen-3-yl-3H-imidazo[4,5-c]quinolin-4-amine is C=C1CCCN1Cc1nc2c([nH]1)c(N)nc1cc(-c3ccc(C)cc3)ccc12.C=C1CCCN1Cc1nc2c([nH]1)c(N)nc1cc(-c3ccc(CO)cc3)ccc12.C=C1CCCN1Cc1nc2c([nH]1)c(N)nc1cc(-c3cccc(OC)c3)ccc12.C=C1CCCN1Cc1nc2c([nH]1)c(N)nc1cc(-c3cccs3)ccc12.C=C1CCCN1Cc1nc2c([nH]1)c(N)nc1cc(-c3ccsc3)ccc12.

What is the InChIKey of [4-[4-amino-2-[(2-methylidenepyrrolidin-1-yl)methyl]-3H-imidazo[4,5-c]quinolin-7-yl]phenyl]methanol;7-(3-methoxyphenyl)-2-[(2-methylidenepyrrolidin-1-yl)methyl]-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepyrrolidin-1-yl)methyl]-7-(4-methylphenyl)-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepyrrolidin-1-yl)methyl]-7-thiophen-2-yl-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepyrrolidin-1-yl)methyl]-7-thiophen-3-yl-3H-imidazo[4,5-c]quinolin-4-amine?

The InChIKey is LILHCTSHHBDEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H23N5O.C23H23N5.2C20H19N5S/c1-14-5-4-10-28(14)13-20-26-21-18-9-8-16(15-6-3-7-17(11-15)29-2)12-19(18)25-23(24)22(21)27-20;1-14-3-2-10-28(14)12-20-26-21-18-9-8-17(16-6-4-15(13-29)5-7-16)11-19(18)25-23(24)22(21)27-20;1-14-5-7-16(8-6-14)17-9-10-18-19(12-17)25-23(24)22-21(18)26-20(27-22)13-28-11-3-4-15(28)2;1-12-4-2-8-25(12)11-17-23-18-14-7-6-13(16-5-3-9-26-16)10-15(14)22-20(21)19(18)24-17;1-12-3-2-7-25(12)10-17-23-18-15-5-4-13(14-6-8-26-11-14)9-16(15)22-20(21)19(18)24-17/h3,6-9,11-12H,1,4-5,10,13H2,2H3,(H2,24,25)(H,26,27);4-9,11,29H,1-3,10,12-13H2,(H2,24,25)(H,26,27);5-10,12H,2-4,11,13H2,1H3,(H2,24,25)(H,26,27);3,5-7,9-10H,1-2,4,8,11H2,(H2,21,22)(H,23,24);4-6,8-9,11H,1-3,7,10H2,(H2,21,22)(H,23,24).

What are the key properties of [4-[4-amino-2-[(2-methylidenepyrrolidin-1-yl)methyl]-3H-imidazo[4,5-c]quinolin-7-yl]phenyl]methanol;7-(3-methoxyphenyl)-2-[(2-methylidenepyrrolidin-1-yl)methyl]-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepyrrolidin-1-yl)methyl]-7-(4-methylphenyl)-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepyrrolidin-1-yl)methyl]-7-thiophen-2-yl-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepyrrolidin-1-yl)methyl]-7-thiophen-3-yl-3H-imidazo[4,5-c]quinolin-4-amine?

[4-[4-amino-2-[(2-methylidenepyrrolidin-1-yl)methyl]-3H-imidazo[4,5-c]quinolin-7-yl]phenyl]methanol;7-(3-methoxyphenyl)-2-[(2-methylidenepyrrolidin-1-yl)methyl]-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepyrrolidin-1-yl)methyl]-7-(4-methylphenyl)-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepyrrolidin-1-yl)methyl]-7-thiophen-2-yl-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepyrrolidin-1-yl)methyl]-7-thiophen-3-yl-3H-imidazo[4,5-c]quinolin-4-amine has a molecular weight of 1863.36 g/mol, XLogP of 22.28, 17 rotatable bonds, 11 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[4-amino-2-[(2-methylidenepyrrolidin-1-yl)methyl]-3H-imidazo[4,5-c]quinolin-7-yl]phenyl]methanol;7-(3-methoxyphenyl)-2-[(2-methylidenepyrrolidin-1-yl)methyl]-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepyrrolidin-1-yl)methyl]-7-(4-methylphenyl)-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepyrrolidin-1-yl)methyl]-7-thiophen-2-yl-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepyrrolidin-1-yl)methyl]-7-thiophen-3-yl-3H-imidazo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 159360258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).