4-N-benzyl-2-N-methyl-1-(2-methylpropyl)-2-N-prop-2-enylimidazo[4,5-c]quinoline-2,4-diamine;4-N,4-N-dibenzyl-2-N-methyl-1-(2-methylpropyl)-2-N-prop-2-enylimidazo[4,5-c]quinoline-2,4-diamine;2-ethyl-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine;2-N-methyl-1-(2-methylpropyl)-2-N-prop-2-enylimidazo[4,5-c]quinoline-2,4-diamine

C₉₁H₁₀₇N₁₉ — CID 158908677

About 4-N-benzyl-2-N-methyl-1-(2-methylpropyl)-2-N-prop-2-enylimidazo[4,5-c]quinoline-2,4-diamine;4-N,4-N-dibenzyl-2-N-methyl-1-(2-methylpropyl)-2-N-prop-2-enylimidazo[4,5-c]quinoline-2,4-diamine;2-ethyl-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine;2-N-methyl-1-(2-methylpropyl)-2-N-prop-2-enylimidazo[4,5-c]quinoline-2,4-diamine

4-N-benzyl-2-N-methyl-1-(2-methylpropyl)-2-N-prop-2-enylimidazo[4,5-c]quinoline-2,4-diamine;4-N,4-N-dibenzyl-2-N-methyl-1-(2-methylpropyl)-2-N-prop-2-enylimidazo[4,5-c]quinoline-2,4-diamine;2-ethyl-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine;2-N-methyl-1-(2-methylpropyl)-2-N-prop-2-enylimidazo[4,5-c]quinoline-2,4-diamine (PubChem CID 158908677) has the molecular formula C₉₁H₁₀₇N₁₉ and a molecular weight of 1466.99 g/mol. Its IUPAC name is 4-N-benzyl-2-N-methyl-1-(2-methylpropyl)-2-N-prop-2-enylimidazo[4,5-c]quinoline-2,4-diamine;4-N,4-N-dibenzyl-2-N-methyl-1-(2-methylpropyl)-2-N-prop-2-enylimidazo[4,5-c]quinoline-2,4-diamine;2-ethyl-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine;2-N-methyl-1-(2-methylpropyl)-2-N-prop-2-enylimidazo[4,5-c]quinoline-2,4-diamine.

Molecular Properties

• Compound Name: 4-N-benzyl-2-N-methyl-1-(2-methylpropyl)-2-N-prop-2-enylimidazo[4,5-c]quinoline-2,4-diamine;4-N,4-N-dibenzyl-2-N-methyl-1-(2-methylpropyl)-2-N-prop-2-enylimidazo[4,5-c]quinoline-2,4-diamine;2-ethyl-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine;2-N-methyl-1-(2-methylpropyl)-2-N-prop-2-enylimidazo[4,5-c]quinoline-2,4-diamine
• PubChem CID: 158908677
• Molecular Formula: C₉₁H₁₀₇N₁₉
• Molecular Weight: 1466.99 g/mol
• Exact Mass: 1465.90
• IUPAC Name: 4-N-benzyl-2-N-methyl-1-(2-methylpropyl)-2-N-prop-2-enylimidazo[4,5-c]quinoline-2,4-diamine;4-N,4-N-dibenzyl-2-N-methyl-1-(2-methylpropyl)-2-N-prop-2-enylimidazo[4,5-c]quinoline-2,4-diamine;2-ethyl-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine;2-N-methyl-1-(2-methylpropyl)-2-N-prop-2-enylimidazo[4,5-c]quinoline-2,4-diamine
• SMILES: C=CCN(C)c1nc2c(N(Cc3ccccc3)Cc3ccccc3)nc3ccccc3c2n1CC(C)C.C=CCN(C)c1nc2c(N)nc3ccccc3c2n1CC(C)C.C=CCN(C)c1nc2c(NCc3ccccc3)nc3ccccc3c2n1CC(C)C.CCc1nc2c(N)nc3ccccc3c2n1CC(C)C
• InChI: InChI=1S/C32H35N5.C25H29N5.C18H23N5.C16H20N4/c1-5-20-35(4)32-34-29-30(37(32)21-24(2)3)27-18-12-13-19-28(27)33-31(29)36(22-25-14-8-6-9-15-25)23-26-16-10-7-11-17-26;1-5-15-29(4)25-28-22-23(30(25)17-18(2)3)20-13-9-10-14-21(20)27-24(22)26-16-19-11-7-6-8-12-19;1-5-10-22(4)18-21-15-16(23(18)11-12(2)3)13-8-6-7-9-14(13)20-17(15)19;1-4-13-19-14-15(20(13)9-10(2)3)11-7-5-6-8-12(11)18-16(14)17/h5-19,24H,1,20-23H2,2-4H3;5-14,18H,1,15-17H2,2-4H3,(H,26,27);5-9,12H,1,10-11H2,2-4H3,(H2,19,20);5-8,10H,4,9H2,1-3H3,(H2,17,18)
• InChIKey: JGJGOFJVYNTIKO-UHFFFAOYSA-N
• XLogP: 19.37
• TPSA: 199.87 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 19
• Rotatable Bonds: 26
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1466.99
LogP ≤ 5	19.37
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-2-N-methyl-1-(2-methylpropyl)-2-N-prop-2-enylimidazo[4,5-c]quinoline-2,4-diamine;4-N,4-N-dibenzyl-2-N-methyl-1-(2-methylpropyl)-2-N-prop-2-enylimidazo[4,5-c]quinoline-2,4-diamine;2-ethyl-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine;2-N-methyl-1-(2-methylpropyl)-2-N-prop-2-enylimidazo[4,5-c]quinoline-2,4-diamine?

The IUPAC name of 4-N-benzyl-2-N-methyl-1-(2-methylpropyl)-2-N-prop-2-enylimidazo[4,5-c]quinoline-2,4-diamine;4-N,4-N-dibenzyl-2-N-methyl-1-(2-methylpropyl)-2-N-prop-2-enylimidazo[4,5-c]quinoline-2,4-diamine;2-ethyl-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine;2-N-methyl-1-(2-methylpropyl)-2-N-prop-2-enylimidazo[4,5-c]quinoline-2,4-diamine (CID 158908677) is 4-N-benzyl-2-N-methyl-1-(2-methylpropyl)-2-N-prop-2-enylimidazo[4,5-c]quinoline-2,4-diamine;4-N,4-N-dibenzyl-2-N-methyl-1-(2-methylpropyl)-2-N-prop-2-enylimidazo[4,5-c]quinoline-2,4-diamine;2-ethyl-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine;2-N-methyl-1-(2-methylpropyl)-2-N-prop-2-enylimidazo[4,5-c]quinoline-2,4-diamine.

What is the SMILES notation for 4-N-benzyl-2-N-methyl-1-(2-methylpropyl)-2-N-prop-2-enylimidazo[4,5-c]quinoline-2,4-diamine;4-N,4-N-dibenzyl-2-N-methyl-1-(2-methylpropyl)-2-N-prop-2-enylimidazo[4,5-c]quinoline-2,4-diamine;2-ethyl-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine;2-N-methyl-1-(2-methylpropyl)-2-N-prop-2-enylimidazo[4,5-c]quinoline-2,4-diamine?

The canonical SMILES for 4-N-benzyl-2-N-methyl-1-(2-methylpropyl)-2-N-prop-2-enylimidazo[4,5-c]quinoline-2,4-diamine;4-N,4-N-dibenzyl-2-N-methyl-1-(2-methylpropyl)-2-N-prop-2-enylimidazo[4,5-c]quinoline-2,4-diamine;2-ethyl-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine;2-N-methyl-1-(2-methylpropyl)-2-N-prop-2-enylimidazo[4,5-c]quinoline-2,4-diamine is C=CCN(C)c1nc2c(N(Cc3ccccc3)Cc3ccccc3)nc3ccccc3c2n1CC(C)C.C=CCN(C)c1nc2c(N)nc3ccccc3c2n1CC(C)C.C=CCN(C)c1nc2c(NCc3ccccc3)nc3ccccc3c2n1CC(C)C.CCc1nc2c(N)nc3ccccc3c2n1CC(C)C.

What is the InChIKey of 4-N-benzyl-2-N-methyl-1-(2-methylpropyl)-2-N-prop-2-enylimidazo[4,5-c]quinoline-2,4-diamine;4-N,4-N-dibenzyl-2-N-methyl-1-(2-methylpropyl)-2-N-prop-2-enylimidazo[4,5-c]quinoline-2,4-diamine;2-ethyl-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine;2-N-methyl-1-(2-methylpropyl)-2-N-prop-2-enylimidazo[4,5-c]quinoline-2,4-diamine?

The InChIKey is JGJGOFJVYNTIKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35N5.C25H29N5.C18H23N5.C16H20N4/c1-5-20-35(4)32-34-29-30(37(32)21-24(2)3)27-18-12-13-19-28(27)33-31(29)36(22-25-14-8-6-9-15-25)23-26-16-10-7-11-17-26;1-5-15-29(4)25-28-22-23(30(25)17-18(2)3)20-13-9-10-14-21(20)27-24(22)26-16-19-11-7-6-8-12-19;1-5-10-22(4)18-21-15-16(23(18)11-12(2)3)13-8-6-7-9-14(13)20-17(15)19;1-4-13-19-14-15(20(13)9-10(2)3)11-7-5-6-8-12(11)18-16(14)17/h5-19,24H,1,20-23H2,2-4H3;5-14,18H,1,15-17H2,2-4H3,(H,26,27);5-9,12H,1,10-11H2,2-4H3,(H2,19,20);5-8,10H,4,9H2,1-3H3,(H2,17,18).

What are the key properties of 4-N-benzyl-2-N-methyl-1-(2-methylpropyl)-2-N-prop-2-enylimidazo[4,5-c]quinoline-2,4-diamine;4-N,4-N-dibenzyl-2-N-methyl-1-(2-methylpropyl)-2-N-prop-2-enylimidazo[4,5-c]quinoline-2,4-diamine;2-ethyl-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine;2-N-methyl-1-(2-methylpropyl)-2-N-prop-2-enylimidazo[4,5-c]quinoline-2,4-diamine?

4-N-benzyl-2-N-methyl-1-(2-methylpropyl)-2-N-prop-2-enylimidazo[4,5-c]quinoline-2,4-diamine;4-N,4-N-dibenzyl-2-N-methyl-1-(2-methylpropyl)-2-N-prop-2-enylimidazo[4,5-c]quinoline-2,4-diamine;2-ethyl-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine;2-N-methyl-1-(2-methylpropyl)-2-N-prop-2-enylimidazo[4,5-c]quinoline-2,4-diamine has a molecular weight of 1466.99 g/mol, XLogP of 19.37, 26 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N-benzyl-2-N-methyl-1-(2-methylpropyl)-2-N-prop-2-enylimidazo[4,5-c]quinoline-2,4-diamine;4-N,4-N-dibenzyl-2-N-methyl-1-(2-methylpropyl)-2-N-prop-2-enylimidazo[4,5-c]quinoline-2,4-diamine;2-ethyl-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine;2-N-methyl-1-(2-methylpropyl)-2-N-prop-2-enylimidazo[4,5-c]quinoline-2,4-diamine is sourced from PubChem (CID 158908677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158908677 — identifiers, structure, computed properties (public domain)

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