1-[(4-amino-1-butyl-7-pyridin-3-ylimidazo[4,5-c]quinolin-2-yl)methyl]pyrrolidin-2-one;1-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-3-methylimidazolidin-2-one;1-[(4-amino-7-pyridin-3-yl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-4-phenylpyrrolidin-2-one;2-[(2-methylidene-1,3-oxazolidin-3-yl)methyl]-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepiperidin-1-yl)methyl]-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine

C106H104N34O4 — CID 161484173

About 1-[(4-amino-1-butyl-7-pyridin-3-ylimidazo[4,5-c]quinolin-2-yl)methyl]pyrrolidin-2-one;1-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-3-methylimidazolidin-2-one;1-[(4-amino-7-pyridin-3-yl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-4-phenylpyrrolidin-2-one;2-[(2-methylidene-1,3-oxazolidin-3-yl)methyl]-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepiperidin-1-yl)methyl]-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine

1-[(4-amino-1-butyl-7-pyridin-3-ylimidazo[4,5-c]quinolin-2-yl)methyl]pyrrolidin-2-one;1-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-3-methylimidazolidin-2-one;1-[(4-amino-7-pyridin-3-yl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-4-phenylpyrrolidin-2-one;2-[(2-methylidene-1,3-oxazolidin-3-yl)methyl]-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepiperidin-1-yl)methyl]-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine (PubChem CID 161484173) has the molecular formula C106H104N34O4 and a molecular weight of 1918.23 g/mol. Its IUPAC name is 1-[(4-amino-1-butyl-7-pyridin-3-ylimidazo[4,5-c]quinolin-2-yl)methyl]pyrrolidin-2-one;1-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-3-methylimidazolidin-2-one;1-[(4-amino-7-pyridin-3-yl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-4-phenylpyrrolidin-2-one;2-[(2-methylidene-1,3-oxazolidin-3-yl)methyl]-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepiperidin-1-yl)methyl]-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine.

Molecular Properties

• Compound Name: 1-[(4-amino-1-butyl-7-pyridin-3-ylimidazo[4,5-c]quinolin-2-yl)methyl]pyrrolidin-2-one;1-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-3-methylimidazolidin-2-one;1-[(4-amino-7-pyridin-3-yl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-4-phenylpyrrolidin-2-one;2-[(2-methylidene-1,3-oxazolidin-3-yl)methyl]-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepiperidin-1-yl)methyl]-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine
• PubChem CID: 161484173
• Molecular Formula: C106H104N34O4
• Molecular Weight: 1918.23 g/mol
• Exact Mass: 1916.90
• IUPAC Name: 1-[(4-amino-1-butyl-7-pyridin-3-ylimidazo[4,5-c]quinolin-2-yl)methyl]pyrrolidin-2-one;1-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-3-methylimidazolidin-2-one;1-[(4-amino-7-pyridin-3-yl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-4-phenylpyrrolidin-2-one;2-[(2-methylidene-1,3-oxazolidin-3-yl)methyl]-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepiperidin-1-yl)methyl]-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine
• SMILES: C=C1CCCCN1Cc1nc2c([nH]1)c(N)nc1cc(-c3ccn[nH]3)ccc12.C=C1OCCN1Cc1nc2c([nH]1)c(N)nc1cc(-c3ccn[nH]3)ccc12.CCCCn1c(CN2CCCC2=O)nc2c(N)nc3cc(-c4cccnc4)ccc3c21.CN1CCN(Cc2nc3c([nH]2)c(N)nc2cc(-c4ccn[nH]4)ccc23)C1=O.Nc1nc2cc(-c3cccnc3)ccc2c2nc(CN3CC(c4ccccc4)CC3=O)[nH]c12
• InChI: InChI=1S/C26H22N6O.C24H26N6O.C20H21N7.C18H18N8O.C18H17N7O/c27-26-25-24(20-9-8-17(11-21(20)29-26)18-7-4-10-28-13-18)30-22(31-25)15-32-14-19(12-23(32)33)16-5-2-1-3-6-16;1-2-3-12-30-20(15-29-11-5-7-21(29)31)28-22-23(30)18-9-8-16(13-19(18)27-24(22)25)17-6-4-10-26-14-17;1-12-4-2-3-9-27(12)11-17-24-18-14-6-5-13(15-7-8-22-26-15)10-16(14)23-20(21)19(18)25-17;1-25-6-7-26(18(25)27)9-14-22-15-11-3-2-10(12-4-5-20-24-12)8-13(11)21-17(19)16(15)23-14;1-10-25(6-7-26-10)9-15-22-16-12-3-2-11(13-4-5-20-24-13)8-14(12)21-18(19)17(16)23-15/h1-11,13,19H,12,14-15H2,(H2,27,29)(H,30,31);4,6,8-10,13-14H,2-3,5,7,11-12,15H2,1H3,(H2,25,27);5-8,10H,1-4,9,11H2,(H2,21,23)(H,22,26)(H,24,25);2-5,8H,6-7,9H2,1H3,(H2,19,21)(H,20,24)(H,22,23);2-5,8H,1,6-7,9H2,(H2,19,21)(H,20,24)(H,22,23)
• InChIKey: WETKABYJNFIOES-UHFFFAOYSA-N
• XLogP: 16.34
• TPSA: 518.79 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 27
• Rotatable Bonds: 19
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1918.23
LogP ≤ 5	16.34
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 1-[(4-amino-1-butyl-7-pyridin-3-ylimidazo[4,5-c]quinolin-2-yl)methyl]pyrrolidin-2-one;1-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-3-methylimidazolidin-2-one;1-[(4-amino-7-pyridin-3-yl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-4-phenylpyrrolidin-2-one;2-[(2-methylidene-1,3-oxazolidin-3-yl)methyl]-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepiperidin-1-yl)methyl]-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine?

The IUPAC name of 1-[(4-amino-1-butyl-7-pyridin-3-ylimidazo[4,5-c]quinolin-2-yl)methyl]pyrrolidin-2-one;1-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-3-methylimidazolidin-2-one;1-[(4-amino-7-pyridin-3-yl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-4-phenylpyrrolidin-2-one;2-[(2-methylidene-1,3-oxazolidin-3-yl)methyl]-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepiperidin-1-yl)methyl]-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine (CID 161484173) is 1-[(4-amino-1-butyl-7-pyridin-3-ylimidazo[4,5-c]quinolin-2-yl)methyl]pyrrolidin-2-one;1-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-3-methylimidazolidin-2-one;1-[(4-amino-7-pyridin-3-yl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-4-phenylpyrrolidin-2-one;2-[(2-methylidene-1,3-oxazolidin-3-yl)methyl]-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepiperidin-1-yl)methyl]-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine.

What is the SMILES notation for 1-[(4-amino-1-butyl-7-pyridin-3-ylimidazo[4,5-c]quinolin-2-yl)methyl]pyrrolidin-2-one;1-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-3-methylimidazolidin-2-one;1-[(4-amino-7-pyridin-3-yl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-4-phenylpyrrolidin-2-one;2-[(2-methylidene-1,3-oxazolidin-3-yl)methyl]-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepiperidin-1-yl)methyl]-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine?

The canonical SMILES for 1-[(4-amino-1-butyl-7-pyridin-3-ylimidazo[4,5-c]quinolin-2-yl)methyl]pyrrolidin-2-one;1-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-3-methylimidazolidin-2-one;1-[(4-amino-7-pyridin-3-yl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-4-phenylpyrrolidin-2-one;2-[(2-methylidene-1,3-oxazolidin-3-yl)methyl]-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepiperidin-1-yl)methyl]-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine is C=C1CCCCN1Cc1nc2c([nH]1)c(N)nc1cc(-c3ccn[nH]3)ccc12.C=C1OCCN1Cc1nc2c([nH]1)c(N)nc1cc(-c3ccn[nH]3)ccc12.CCCCn1c(CN2CCCC2=O)nc2c(N)nc3cc(-c4cccnc4)ccc3c21.CN1CCN(Cc2nc3c([nH]2)c(N)nc2cc(-c4ccn[nH]4)ccc23)C1=O.Nc1nc2cc(-c3cccnc3)ccc2c2nc(CN3CC(c4ccccc4)CC3=O)[nH]c12.

What is the InChIKey of 1-[(4-amino-1-butyl-7-pyridin-3-ylimidazo[4,5-c]quinolin-2-yl)methyl]pyrrolidin-2-one;1-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-3-methylimidazolidin-2-one;1-[(4-amino-7-pyridin-3-yl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-4-phenylpyrrolidin-2-one;2-[(2-methylidene-1,3-oxazolidin-3-yl)methyl]-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepiperidin-1-yl)methyl]-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine?

The InChIKey is WETKABYJNFIOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N6O.C24H26N6O.C20H21N7.C18H18N8O.C18H17N7O/c27-26-25-24(20-9-8-17(11-21(20)29-26)18-7-4-10-28-13-18)30-22(31-25)15-32-14-19(12-23(32)33)16-5-2-1-3-6-16;1-2-3-12-30-20(15-29-11-5-7-21(29)31)28-22-23(30)18-9-8-16(13-19(18)27-24(22)25)17-6-4-10-26-14-17;1-12-4-2-3-9-27(12)11-17-24-18-14-6-5-13(15-7-8-22-26-15)10-16(14)23-20(21)19(18)25-17;1-25-6-7-26(18(25)27)9-14-22-15-11-3-2-10(12-4-5-20-24-12)8-13(11)21-17(19)16(15)23-14;1-10-25(6-7-26-10)9-15-22-16-12-3-2-11(13-4-5-20-24-13)8-14(12)21-18(19)17(16)23-15/h1-11,13,19H,12,14-15H2,(H2,27,29)(H,30,31);4,6,8-10,13-14H,2-3,5,7,11-12,15H2,1H3,(H2,25,27);5-8,10H,1-4,9,11H2,(H2,21,23)(H,22,26)(H,24,25);2-5,8H,6-7,9H2,1H3,(H2,19,21)(H,20,24)(H,22,23);2-5,8H,1,6-7,9H2,(H2,19,21)(H,20,24)(H,22,23).

What are the key properties of 1-[(4-amino-1-butyl-7-pyridin-3-ylimidazo[4,5-c]quinolin-2-yl)methyl]pyrrolidin-2-one;1-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-3-methylimidazolidin-2-one;1-[(4-amino-7-pyridin-3-yl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-4-phenylpyrrolidin-2-one;2-[(2-methylidene-1,3-oxazolidin-3-yl)methyl]-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepiperidin-1-yl)methyl]-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine?

1-[(4-amino-1-butyl-7-pyridin-3-ylimidazo[4,5-c]quinolin-2-yl)methyl]pyrrolidin-2-one;1-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-3-methylimidazolidin-2-one;1-[(4-amino-7-pyridin-3-yl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-4-phenylpyrrolidin-2-one;2-[(2-methylidene-1,3-oxazolidin-3-yl)methyl]-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepiperidin-1-yl)methyl]-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine has a molecular weight of 1918.23 g/mol, XLogP of 16.34, 19 rotatable bonds, 12 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(4-amino-1-butyl-7-pyridin-3-ylimidazo[4,5-c]quinolin-2-yl)methyl]pyrrolidin-2-one;1-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-3-methylimidazolidin-2-one;1-[(4-amino-7-pyridin-3-yl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-4-phenylpyrrolidin-2-one;2-[(2-methylidene-1,3-oxazolidin-3-yl)methyl]-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepiperidin-1-yl)methyl]-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 161484173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).