2-[3-(4-amino-1-benzylimidazo[4,5-c]quinolin-2-yl)propyl]-1-benzylimidazo[4,5-c]quinolin-4-amine;1-benzyl-2-[2-(1-benzylimidazo[4,5-c]quinolin-2-yl)ethyl]imidazo[4,5-c]quinoline;4-N-benzyl-2-chloroquinoline-3,4-diamine;3-(1-benzylimidazo[4,5-c]quinolin-2-yl)propanoic acid;4-N-benzylquinoline-3,4-diamine

C125H106ClN23O2 — CID 157243576

About 2-[3-(4-amino-1-benzylimidazo[4,5-c]quinolin-2-yl)propyl]-1-benzylimidazo[4,5-c]quinolin-4-amine;1-benzyl-2-[2-(1-benzylimidazo[4,5-c]quinolin-2-yl)ethyl]imidazo[4,5-c]quinoline;4-N-benzyl-2-chloroquinoline-3,4-diamine;3-(1-benzylimidazo[4,5-c]quinolin-2-yl)propanoic acid;4-N-benzylquinoline-3,4-diamine

2-[3-(4-amino-1-benzylimidazo[4,5-c]quinolin-2-yl)propyl]-1-benzylimidazo[4,5-c]quinolin-4-amine;1-benzyl-2-[2-(1-benzylimidazo[4,5-c]quinolin-2-yl)ethyl]imidazo[4,5-c]quinoline;4-N-benzyl-2-chloroquinoline-3,4-diamine;3-(1-benzylimidazo[4,5-c]quinolin-2-yl)propanoic acid;4-N-benzylquinoline-3,4-diamine (PubChem CID 157243576) has the molecular formula C125H106ClN23O2 and a molecular weight of 1997.83 g/mol. Its IUPAC name is 2-[3-(4-amino-1-benzylimidazo[4,5-c]quinolin-2-yl)propyl]-1-benzylimidazo[4,5-c]quinolin-4-amine;1-benzyl-2-[2-(1-benzylimidazo[4,5-c]quinolin-2-yl)ethyl]imidazo[4,5-c]quinoline;4-N-benzyl-2-chloroquinoline-3,4-diamine;3-(1-benzylimidazo[4,5-c]quinolin-2-yl)propanoic acid;4-N-benzylquinoline-3,4-diamine.

Molecular Properties

• Compound Name: 2-[3-(4-amino-1-benzylimidazo[4,5-c]quinolin-2-yl)propyl]-1-benzylimidazo[4,5-c]quinolin-4-amine;1-benzyl-2-[2-(1-benzylimidazo[4,5-c]quinolin-2-yl)ethyl]imidazo[4,5-c]quinoline;4-N-benzyl-2-chloroquinoline-3,4-diamine;3-(1-benzylimidazo[4,5-c]quinolin-2-yl)propanoic acid;4-N-benzylquinoline-3,4-diamine
• PubChem CID: 157243576
• Molecular Formula: C125H106ClN23O2
• Molecular Weight: 1997.83 g/mol
• Exact Mass: 1995.86
• IUPAC Name: 2-[3-(4-amino-1-benzylimidazo[4,5-c]quinolin-2-yl)propyl]-1-benzylimidazo[4,5-c]quinolin-4-amine;1-benzyl-2-[2-(1-benzylimidazo[4,5-c]quinolin-2-yl)ethyl]imidazo[4,5-c]quinoline;4-N-benzyl-2-chloroquinoline-3,4-diamine;3-(1-benzylimidazo[4,5-c]quinolin-2-yl)propanoic acid;4-N-benzylquinoline-3,4-diamine
• SMILES: Nc1c(Cl)nc2ccccc2c1NCc1ccccc1.Nc1cnc2ccccc2c1NCc1ccccc1.Nc1nc2ccccc2c2c1nc(CCCc1nc3c(N)nc4ccccc4c3n1Cc1ccccc1)n2Cc1ccccc1.O=C(O)CCc1nc2cnc3ccccc3c2n1Cc1ccccc1.c1ccc(Cn2c(CCc3nc4cnc5ccccc5c4n3Cc3ccccc3)nc3cnc4ccccc4c32)cc1
• InChI: InChI=1S/C37H32N8.C36H28N6.C20H17N3O2.C16H14ClN3.C16H15N3/c38-36-32-34(26-16-7-9-18-28(26)40-36)44(22-24-12-3-1-4-13-24)30(42-32)20-11-21-31-43-33-35(45(31)23-25-14-5-2-6-15-25)27-17-8-10-19-29(27)41-37(33)39;1-3-11-25(12-4-1)23-41-33(39-31-21-37-29-17-9-7-15-27(29)35(31)41)19-20-34-40-32-22-38-30-18-10-8-16-28(30)36(32)42(34)24-26-13-5-2-6-14-26;24-19(25)11-10-18-22-17-12-21-16-9-5-4-8-15(16)20(17)23(18)13-14-6-2-1-3-7-14;17-16-14(18)15(12-8-4-5-9-13(12)20-16)19-10-11-6-2-1-3-7-11;17-14-11-18-15-9-5-4-8-13(15)16(14)19-10-12-6-2-1-3-7-12/h1-10,12-19H,11,20-23H2,(H2,38,40)(H2,39,41);1-18,21-22H,19-20,23-24H2;1-9,12H,10-11,13H2,(H,24,25);1-9H,10,18H2,(H,19,20);1-9,11H,10,17H2,(H,18,19)
• InChIKey: AVMMIKURYJSASL-UHFFFAOYSA-N
• XLogP: 25.44
• TPSA: 344.77 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 24
• Rotatable Bonds: 26
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1997.83
LogP ≤ 5	25.44
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-amino-1-benzylimidazo[4,5-c]quinolin-2-yl)propyl]-1-benzylimidazo[4,5-c]quinolin-4-amine;1-benzyl-2-[2-(1-benzylimidazo[4,5-c]quinolin-2-yl)ethyl]imidazo[4,5-c]quinoline;4-N-benzyl-2-chloroquinoline-3,4-diamine;3-(1-benzylimidazo[4,5-c]quinolin-2-yl)propanoic acid;4-N-benzylquinoline-3,4-diamine?

The IUPAC name of 2-[3-(4-amino-1-benzylimidazo[4,5-c]quinolin-2-yl)propyl]-1-benzylimidazo[4,5-c]quinolin-4-amine;1-benzyl-2-[2-(1-benzylimidazo[4,5-c]quinolin-2-yl)ethyl]imidazo[4,5-c]quinoline;4-N-benzyl-2-chloroquinoline-3,4-diamine;3-(1-benzylimidazo[4,5-c]quinolin-2-yl)propanoic acid;4-N-benzylquinoline-3,4-diamine (CID 157243576) is 2-[3-(4-amino-1-benzylimidazo[4,5-c]quinolin-2-yl)propyl]-1-benzylimidazo[4,5-c]quinolin-4-amine;1-benzyl-2-[2-(1-benzylimidazo[4,5-c]quinolin-2-yl)ethyl]imidazo[4,5-c]quinoline;4-N-benzyl-2-chloroquinoline-3,4-diamine;3-(1-benzylimidazo[4,5-c]quinolin-2-yl)propanoic acid;4-N-benzylquinoline-3,4-diamine.

What is the SMILES notation for 2-[3-(4-amino-1-benzylimidazo[4,5-c]quinolin-2-yl)propyl]-1-benzylimidazo[4,5-c]quinolin-4-amine;1-benzyl-2-[2-(1-benzylimidazo[4,5-c]quinolin-2-yl)ethyl]imidazo[4,5-c]quinoline;4-N-benzyl-2-chloroquinoline-3,4-diamine;3-(1-benzylimidazo[4,5-c]quinolin-2-yl)propanoic acid;4-N-benzylquinoline-3,4-diamine?

The canonical SMILES for 2-[3-(4-amino-1-benzylimidazo[4,5-c]quinolin-2-yl)propyl]-1-benzylimidazo[4,5-c]quinolin-4-amine;1-benzyl-2-[2-(1-benzylimidazo[4,5-c]quinolin-2-yl)ethyl]imidazo[4,5-c]quinoline;4-N-benzyl-2-chloroquinoline-3,4-diamine;3-(1-benzylimidazo[4,5-c]quinolin-2-yl)propanoic acid;4-N-benzylquinoline-3,4-diamine is Nc1c(Cl)nc2ccccc2c1NCc1ccccc1.Nc1cnc2ccccc2c1NCc1ccccc1.Nc1nc2ccccc2c2c1nc(CCCc1nc3c(N)nc4ccccc4c3n1Cc1ccccc1)n2Cc1ccccc1.O=C(O)CCc1nc2cnc3ccccc3c2n1Cc1ccccc1.c1ccc(Cn2c(CCc3nc4cnc5ccccc5c4n3Cc3ccccc3)nc3cnc4ccccc4c32)cc1.

What is the InChIKey of 2-[3-(4-amino-1-benzylimidazo[4,5-c]quinolin-2-yl)propyl]-1-benzylimidazo[4,5-c]quinolin-4-amine;1-benzyl-2-[2-(1-benzylimidazo[4,5-c]quinolin-2-yl)ethyl]imidazo[4,5-c]quinoline;4-N-benzyl-2-chloroquinoline-3,4-diamine;3-(1-benzylimidazo[4,5-c]quinolin-2-yl)propanoic acid;4-N-benzylquinoline-3,4-diamine?

The InChIKey is AVMMIKURYJSASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H32N8.C36H28N6.C20H17N3O2.C16H14ClN3.C16H15N3/c38-36-32-34(26-16-7-9-18-28(26)40-36)44(22-24-12-3-1-4-13-24)30(42-32)20-11-21-31-43-33-35(45(31)23-25-14-5-2-6-15-25)27-17-8-10-19-29(27)41-37(33)39;1-3-11-25(12-4-1)23-41-33(39-31-21-37-29-17-9-7-15-27(29)35(31)41)19-20-34-40-32-22-38-30-18-10-8-16-28(30)36(32)42(34)24-26-13-5-2-6-14-26;24-19(25)11-10-18-22-17-12-21-16-9-5-4-8-15(16)20(17)23(18)13-14-6-2-1-3-7-14;17-16-14(18)15(12-8-4-5-9-13(12)20-16)19-10-11-6-2-1-3-7-11;17-14-11-18-15-9-5-4-8-13(15)16(14)19-10-12-6-2-1-3-7-12/h1-10,12-19H,11,20-23H2,(H2,38,40)(H2,39,41);1-18,21-22H,19-20,23-24H2;1-9,12H,10-11,13H2,(H,24,25);1-9H,10,18H2,(H,19,20);1-9,11H,10,17H2,(H,18,19).

What are the key properties of 2-[3-(4-amino-1-benzylimidazo[4,5-c]quinolin-2-yl)propyl]-1-benzylimidazo[4,5-c]quinolin-4-amine;1-benzyl-2-[2-(1-benzylimidazo[4,5-c]quinolin-2-yl)ethyl]imidazo[4,5-c]quinoline;4-N-benzyl-2-chloroquinoline-3,4-diamine;3-(1-benzylimidazo[4,5-c]quinolin-2-yl)propanoic acid;4-N-benzylquinoline-3,4-diamine?

2-[3-(4-amino-1-benzylimidazo[4,5-c]quinolin-2-yl)propyl]-1-benzylimidazo[4,5-c]quinolin-4-amine;1-benzyl-2-[2-(1-benzylimidazo[4,5-c]quinolin-2-yl)ethyl]imidazo[4,5-c]quinoline;4-N-benzyl-2-chloroquinoline-3,4-diamine;3-(1-benzylimidazo[4,5-c]quinolin-2-yl)propanoic acid;4-N-benzylquinoline-3,4-diamine has a molecular weight of 1997.83 g/mol, XLogP of 25.44, 26 rotatable bonds, 7 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(4-amino-1-benzylimidazo[4,5-c]quinolin-2-yl)propyl]-1-benzylimidazo[4,5-c]quinolin-4-amine;1-benzyl-2-[2-(1-benzylimidazo[4,5-c]quinolin-2-yl)ethyl]imidazo[4,5-c]quinoline;4-N-benzyl-2-chloroquinoline-3,4-diamine;3-(1-benzylimidazo[4,5-c]quinolin-2-yl)propanoic acid;4-N-benzylquinoline-3,4-diamine is sourced from PubChem (CID 157243576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).