1-(4-aminobutyl)-2-butylimidazo[4,5-c]quinolin-4-amine;tert-butyl N-[4-[2-butyl-4-[[4-(hydroxymethyl)-2-methoxyphenyl]methylamino]imidazo[4,5-c]quinolin-1-yl]butyl]carbamate;diiodovanadium;triiodovanadium

C50H68I5N10O4V2 — CID 161352614

About 1-(4-aminobutyl)-2-butylimidazo[4,5-c]quinolin-4-amine;tert-butyl N-[4-[2-butyl-4-[[4-(hydroxymethyl)-2-methoxyphenyl]methylamino]imidazo[4,5-c]quinolin-1-yl]butyl]carbamate;diiodovanadium;triiodovanadium

1-(4-aminobutyl)-2-butylimidazo[4,5-c]quinolin-4-amine;tert-butyl N-[4-[2-butyl-4-[[4-(hydroxymethyl)-2-methoxyphenyl]methylamino]imidazo[4,5-c]quinolin-1-yl]butyl]carbamate;diiodovanadium;triiodovanadium (PubChem CID 161352614) has the molecular formula C50H68I5N10O4V2 and a molecular weight of 1609.57 g/mol. Its IUPAC name is 1-(4-aminobutyl)-2-butylimidazo[4,5-c]quinolin-4-amine;tert-butyl N-[4-[2-butyl-4-[[4-(hydroxymethyl)-2-methoxyphenyl]methylamino]imidazo[4,5-c]quinolin-1-yl]butyl]carbamate;diiodovanadium;triiodovanadium.

Molecular Properties

• Compound Name: 1-(4-aminobutyl)-2-butylimidazo[4,5-c]quinolin-4-amine;tert-butyl N-[4-[2-butyl-4-[[4-(hydroxymethyl)-2-methoxyphenyl]methylamino]imidazo[4,5-c]quinolin-1-yl]butyl]carbamate;diiodovanadium;triiodovanadium
• PubChem CID: 161352614
• Molecular Formula: C50H68I5N10O4V2
• Molecular Weight: 1609.57 g/mol
• Exact Mass: 1608.95
• IUPAC Name: 1-(4-aminobutyl)-2-butylimidazo[4,5-c]quinolin-4-amine;tert-butyl N-[4-[2-butyl-4-[[4-(hydroxymethyl)-2-methoxyphenyl]methylamino]imidazo[4,5-c]quinolin-1-yl]butyl]carbamate;diiodovanadium;triiodovanadium
• SMILES: CCCCc1nc2c(N)nc3ccccc3c2n1CCCCN.CCCCc1nc2c(NCc3ccc(CO)cc3OC)nc3ccccc3c2n1CCCCNC(=O)OC(C)(C)C.I[V](I)I.I[V]I
• InChI: InChI=1S/C32H43N5O4.C18H25N5.5HI.2V/c1-6-7-14-27-36-28-29(37(27)18-11-10-17-33-31(39)41-32(2,3)4)24-12-8-9-13-25(24)35-30(28)34-20-23-16-15-22(21-38)19-26(23)40-5;1-2-3-10-15-22-16-17(23(15)12-7-6-11-19)13-8-4-5-9-14(13)21-18(16)20;;;;;;;/h8-9,12-13,15-16,19,38H,6-7,10-11,14,17-18,20-21H2,1-5H3,(H,33,39)(H,34,35);4-5,8-9H,2-3,6-7,10-12,19H2,1H3,(H2,20,21);5*1H;;/q;;;;;;;+2;+3/p-5
• InChIKey: VOCSADONONFFCS-UHFFFAOYSA-I
• XLogP: 14.02
• TPSA: 193.28 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 13
• Rotatable Bonds: 20
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1609.57
LogP ≤ 5	14.02
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminobutyl)-2-butylimidazo[4,5-c]quinolin-4-amine;tert-butyl N-[4-[2-butyl-4-[[4-(hydroxymethyl)-2-methoxyphenyl]methylamino]imidazo[4,5-c]quinolin-1-yl]butyl]carbamate;diiodovanadium;triiodovanadium?

The IUPAC name of 1-(4-aminobutyl)-2-butylimidazo[4,5-c]quinolin-4-amine;tert-butyl N-[4-[2-butyl-4-[[4-(hydroxymethyl)-2-methoxyphenyl]methylamino]imidazo[4,5-c]quinolin-1-yl]butyl]carbamate;diiodovanadium;triiodovanadium (CID 161352614) is 1-(4-aminobutyl)-2-butylimidazo[4,5-c]quinolin-4-amine;tert-butyl N-[4-[2-butyl-4-[[4-(hydroxymethyl)-2-methoxyphenyl]methylamino]imidazo[4,5-c]quinolin-1-yl]butyl]carbamate;diiodovanadium;triiodovanadium.

What is the SMILES notation for 1-(4-aminobutyl)-2-butylimidazo[4,5-c]quinolin-4-amine;tert-butyl N-[4-[2-butyl-4-[[4-(hydroxymethyl)-2-methoxyphenyl]methylamino]imidazo[4,5-c]quinolin-1-yl]butyl]carbamate;diiodovanadium;triiodovanadium?

The canonical SMILES for 1-(4-aminobutyl)-2-butylimidazo[4,5-c]quinolin-4-amine;tert-butyl N-[4-[2-butyl-4-[[4-(hydroxymethyl)-2-methoxyphenyl]methylamino]imidazo[4,5-c]quinolin-1-yl]butyl]carbamate;diiodovanadium;triiodovanadium is CCCCc1nc2c(N)nc3ccccc3c2n1CCCCN.CCCCc1nc2c(NCc3ccc(CO)cc3OC)nc3ccccc3c2n1CCCCNC(=O)OC(C)(C)C.I[V](I)I.I[V]I.

What is the InChIKey of 1-(4-aminobutyl)-2-butylimidazo[4,5-c]quinolin-4-amine;tert-butyl N-[4-[2-butyl-4-[[4-(hydroxymethyl)-2-methoxyphenyl]methylamino]imidazo[4,5-c]quinolin-1-yl]butyl]carbamate;diiodovanadium;triiodovanadium?

The InChIKey is VOCSADONONFFCS-UHFFFAOYSA-I. The full InChI is InChI=1S/C32H43N5O4.C18H25N5.5HI.2V/c1-6-7-14-27-36-28-29(37(27)18-11-10-17-33-31(39)41-32(2,3)4)24-12-8-9-13-25(24)35-30(28)34-20-23-16-15-22(21-38)19-26(23)40-5;1-2-3-10-15-22-16-17(23(15)12-7-6-11-19)13-8-4-5-9-14(13)21-18(16)20;;;;;;;/h8-9,12-13,15-16,19,38H,6-7,10-11,14,17-18,20-21H2,1-5H3,(H,33,39)(H,34,35);4-5,8-9H,2-3,6-7,10-12,19H2,1H3,(H2,20,21);5*1H;;/q;;;;;;;+2;+3/p-5.

What are the key properties of 1-(4-aminobutyl)-2-butylimidazo[4,5-c]quinolin-4-amine;tert-butyl N-[4-[2-butyl-4-[[4-(hydroxymethyl)-2-methoxyphenyl]methylamino]imidazo[4,5-c]quinolin-1-yl]butyl]carbamate;diiodovanadium;triiodovanadium?

1-(4-aminobutyl)-2-butylimidazo[4,5-c]quinolin-4-amine;tert-butyl N-[4-[2-butyl-4-[[4-(hydroxymethyl)-2-methoxyphenyl]methylamino]imidazo[4,5-c]quinolin-1-yl]butyl]carbamate;diiodovanadium;triiodovanadium has a molecular weight of 1609.57 g/mol, XLogP of 14.02, 20 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-aminobutyl)-2-butylimidazo[4,5-c]quinolin-4-amine;tert-butyl N-[4-[2-butyl-4-[[4-(hydroxymethyl)-2-methoxyphenyl]methylamino]imidazo[4,5-c]quinolin-1-yl]butyl]carbamate;diiodovanadium;triiodovanadium is sourced from PubChem (CID 161352614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).