3-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-7-yl)-1H-pyridin-2-one;6-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-7-yl)-1H-pyridin-2-one;[6-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-7-yl)-2-pyridinyl]methanol;2-butyl-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine;2-butyl-7-thiophen-2-yl-3H-imidazo[4,5-c]quinolin-4-amine;2-butyl-7-thiophen-3-yl-3H-imidazo[4,5-c]quinolin-4-amine;methane

C112H117N29O3S2 — CID 162037789

About 3-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-7-yl)-1H-pyridin-2-one;6-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-7-yl)-1H-pyridin-2-one;[6-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-7-yl)-2-pyridinyl]methanol;2-butyl-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine;2-butyl-7-thiophen-2-yl-3H-imidazo[4,5-c]quinolin-4-amine;2-butyl-7-thiophen-3-yl-3H-imidazo[4,5-c]quinolin-4-amine;methane

3-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-7-yl)-1H-pyridin-2-one;6-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-7-yl)-1H-pyridin-2-one;[6-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-7-yl)-2-pyridinyl]methanol;2-butyl-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine;2-butyl-7-thiophen-2-yl-3H-imidazo[4,5-c]quinolin-4-amine;2-butyl-7-thiophen-3-yl-3H-imidazo[4,5-c]quinolin-4-amine;methane (PubChem CID 162037789) has the molecular formula C112H117N29O3S2 and a molecular weight of 1981.50 g/mol. Its IUPAC name is 3-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-7-yl)-1H-pyridin-2-one;6-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-7-yl)-1H-pyridin-2-one;[6-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-7-yl)-2-pyridinyl]methanol;2-butyl-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine;2-butyl-7-thiophen-2-yl-3H-imidazo[4,5-c]quinolin-4-amine;2-butyl-7-thiophen-3-yl-3H-imidazo[4,5-c]quinolin-4-amine;methane.

Molecular Properties

• Compound Name: 3-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-7-yl)-1H-pyridin-2-one;6-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-7-yl)-1H-pyridin-2-one;[6-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-7-yl)-2-pyridinyl]methanol;2-butyl-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine;2-butyl-7-thiophen-2-yl-3H-imidazo[4,5-c]quinolin-4-amine;2-butyl-7-thiophen-3-yl-3H-imidazo[4,5-c]quinolin-4-amine;methane
• PubChem CID: 162037789
• Molecular Formula: C112H117N29O3S2
• Molecular Weight: 1981.50 g/mol
• Exact Mass: 1979.93
• IUPAC Name: 3-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-7-yl)-1H-pyridin-2-one;6-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-7-yl)-1H-pyridin-2-one;[6-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-7-yl)-2-pyridinyl]methanol;2-butyl-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine;2-butyl-7-thiophen-2-yl-3H-imidazo[4,5-c]quinolin-4-amine;2-butyl-7-thiophen-3-yl-3H-imidazo[4,5-c]quinolin-4-amine;methane
• SMILES: C.CCCCc1nc2c([nH]1)c(N)nc1cc(-c3ccc[nH]c3=O)ccc12.CCCCc1nc2c([nH]1)c(N)nc1cc(-c3cccc(=O)[nH]3)ccc12.CCCCc1nc2c([nH]1)c(N)nc1cc(-c3cccc(CO)n3)ccc12.CCCCc1nc2c([nH]1)c(N)nc1cc(-c3cccs3)ccc12.CCCCc1nc2c([nH]1)c(N)nc1cc(-c3ccn[nH]3)ccc12.CCCCc1nc2c([nH]1)c(N)nc1cc(-c3ccsc3)ccc12
• InChI: InChI=1S/C20H21N5O.2C19H19N5O.2C18H18N4S.C17H18N6.CH4/c1-2-3-7-17-24-18-14-9-8-12(15-6-4-5-13(11-26)22-15)10-16(14)23-20(21)19(18)25-17;1-2-3-6-15-23-16-13-8-7-11(12-5-4-9-21-19(12)25)10-14(13)22-18(20)17(16)24-15;1-2-3-6-15-23-17-12-9-8-11(13-5-4-7-16(25)21-13)10-14(12)22-19(20)18(17)24-15;1-2-3-6-15-21-16-12-8-7-11(14-5-4-9-23-14)10-13(12)20-18(19)17(16)22-15;1-2-3-4-15-21-16-13-6-5-11(12-7-8-23-10-12)9-14(13)20-18(19)17(16)22-15;1-2-3-4-14-21-15-11-6-5-10(12-7-8-19-23-12)9-13(11)20-17(18)16(15)22-14;/h4-6,8-10,26H,2-3,7,11H2,1H3,(H2,21,23)(H,24,25);2*4-5,7-10H,2-3,6H2,1H3,(H2,20,22)(H,21,25)(H,23,24);4-5,7-10H,2-3,6H2,1H3,(H2,19,20)(H,21,22);5-10H,2-4H2,1H3,(H2,19,20)(H,21,22);5-9H,2-4H2,1H3,(H2,18,20)(H,19,23)(H,21,22);1H4
• InChIKey: YWWKSOUFWKWEPE-UHFFFAOYSA-N
• XLogP: 23.96
• TPSA: 533.06 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 25
• Rotatable Bonds: 25
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1981.50
LogP ≤ 5	23.96
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-7-yl)-1H-pyridin-2-one;6-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-7-yl)-1H-pyridin-2-one;[6-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-7-yl)-2-pyridinyl]methanol;2-butyl-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine;2-butyl-7-thiophen-2-yl-3H-imidazo[4,5-c]quinolin-4-amine;2-butyl-7-thiophen-3-yl-3H-imidazo[4,5-c]quinolin-4-amine;methane?

The IUPAC name of 3-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-7-yl)-1H-pyridin-2-one;6-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-7-yl)-1H-pyridin-2-one;[6-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-7-yl)-2-pyridinyl]methanol;2-butyl-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine;2-butyl-7-thiophen-2-yl-3H-imidazo[4,5-c]quinolin-4-amine;2-butyl-7-thiophen-3-yl-3H-imidazo[4,5-c]quinolin-4-amine;methane (CID 162037789) is 3-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-7-yl)-1H-pyridin-2-one;6-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-7-yl)-1H-pyridin-2-one;[6-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-7-yl)-2-pyridinyl]methanol;2-butyl-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine;2-butyl-7-thiophen-2-yl-3H-imidazo[4,5-c]quinolin-4-amine;2-butyl-7-thiophen-3-yl-3H-imidazo[4,5-c]quinolin-4-amine;methane.

What is the SMILES notation for 3-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-7-yl)-1H-pyridin-2-one;6-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-7-yl)-1H-pyridin-2-one;[6-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-7-yl)-2-pyridinyl]methanol;2-butyl-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine;2-butyl-7-thiophen-2-yl-3H-imidazo[4,5-c]quinolin-4-amine;2-butyl-7-thiophen-3-yl-3H-imidazo[4,5-c]quinolin-4-amine;methane?

The canonical SMILES for 3-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-7-yl)-1H-pyridin-2-one;6-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-7-yl)-1H-pyridin-2-one;[6-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-7-yl)-2-pyridinyl]methanol;2-butyl-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine;2-butyl-7-thiophen-2-yl-3H-imidazo[4,5-c]quinolin-4-amine;2-butyl-7-thiophen-3-yl-3H-imidazo[4,5-c]quinolin-4-amine;methane is C.CCCCc1nc2c([nH]1)c(N)nc1cc(-c3ccc[nH]c3=O)ccc12.CCCCc1nc2c([nH]1)c(N)nc1cc(-c3cccc(=O)[nH]3)ccc12.CCCCc1nc2c([nH]1)c(N)nc1cc(-c3cccc(CO)n3)ccc12.CCCCc1nc2c([nH]1)c(N)nc1cc(-c3cccs3)ccc12.CCCCc1nc2c([nH]1)c(N)nc1cc(-c3ccn[nH]3)ccc12.CCCCc1nc2c([nH]1)c(N)nc1cc(-c3ccsc3)ccc12.

What is the InChIKey of 3-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-7-yl)-1H-pyridin-2-one;6-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-7-yl)-1H-pyridin-2-one;[6-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-7-yl)-2-pyridinyl]methanol;2-butyl-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine;2-butyl-7-thiophen-2-yl-3H-imidazo[4,5-c]quinolin-4-amine;2-butyl-7-thiophen-3-yl-3H-imidazo[4,5-c]quinolin-4-amine;methane?

The InChIKey is YWWKSOUFWKWEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O.2C19H19N5O.2C18H18N4S.C17H18N6.CH4/c1-2-3-7-17-24-18-14-9-8-12(15-6-4-5-13(11-26)22-15)10-16(14)23-20(21)19(18)25-17;1-2-3-6-15-23-16-13-8-7-11(12-5-4-9-21-19(12)25)10-14(13)22-18(20)17(16)24-15;1-2-3-6-15-23-17-12-9-8-11(13-5-4-7-16(25)21-13)10-14(12)22-19(20)18(17)24-15;1-2-3-6-15-21-16-12-8-7-11(14-5-4-9-23-14)10-13(12)20-18(19)17(16)22-15;1-2-3-4-15-21-16-13-6-5-11(12-7-8-23-10-12)9-14(13)20-18(19)17(16)22-15;1-2-3-4-14-21-15-11-6-5-10(12-7-8-19-23-12)9-13(11)20-17(18)16(15)22-14;/h4-6,8-10,26H,2-3,7,11H2,1H3,(H2,21,23)(H,24,25);2*4-5,7-10H,2-3,6H2,1H3,(H2,20,22)(H,21,25)(H,23,24);4-5,7-10H,2-3,6H2,1H3,(H2,19,20)(H,21,22);5-10H,2-4H2,1H3,(H2,19,20)(H,21,22);5-9H,2-4H2,1H3,(H2,18,20)(H,19,23)(H,21,22);1H4.

What are the key properties of 3-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-7-yl)-1H-pyridin-2-one;6-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-7-yl)-1H-pyridin-2-one;[6-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-7-yl)-2-pyridinyl]methanol;2-butyl-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine;2-butyl-7-thiophen-2-yl-3H-imidazo[4,5-c]quinolin-4-amine;2-butyl-7-thiophen-3-yl-3H-imidazo[4,5-c]quinolin-4-amine;methane?

3-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-7-yl)-1H-pyridin-2-one;6-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-7-yl)-1H-pyridin-2-one;[6-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-7-yl)-2-pyridinyl]methanol;2-butyl-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine;2-butyl-7-thiophen-2-yl-3H-imidazo[4,5-c]quinolin-4-amine;2-butyl-7-thiophen-3-yl-3H-imidazo[4,5-c]quinolin-4-amine;methane has a molecular weight of 1981.50 g/mol, XLogP of 23.96, 25 rotatable bonds, 16 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-7-yl)-1H-pyridin-2-one;6-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-7-yl)-1H-pyridin-2-one;[6-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-7-yl)-2-pyridinyl]methanol;2-butyl-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine;2-butyl-7-thiophen-2-yl-3H-imidazo[4,5-c]quinolin-4-amine;2-butyl-7-thiophen-3-yl-3H-imidazo[4,5-c]quinolin-4-amine;methane is sourced from PubChem (CID 162037789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).