N-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-N-(1,1-dioxothietan-3-yl)acetamide;1-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-1-(1,1-dioxothietan-3-yl)urea;N-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-N-(thietan-3-yl)acetamide;1-(4-chlorobutyl)-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-4-amine;1-[4-[(1,1-dioxothietan-3-yl)amino]butyl]-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-4-amine;2-(2-methoxyethyl)-1-[4-(thietan-3-ylamino)butyl]imidazo[4,5-c]quinolin-4-amine;methyl N-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-N-(1,1-dioxothietan-3-yl)carbamate;thietan-3-amine

C147H197ClN36O20S7 — CID 159442443

About N-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-N-(1,1-dioxothietan-3-yl)acetamide;1-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-1-(1,1-dioxothietan-3-yl)urea;N-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-N-(thietan-3-yl)acetamide;1-(4-chlorobutyl)-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-4-amine;1-[4-[(1,1-dioxothietan-3-yl)amino]butyl]-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-4-amine;2-(2-methoxyethyl)-1-[4-(thietan-3-ylamino)butyl]imidazo[4,5-c]quinolin-4-amine;methyl N-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-N-(1,1-dioxothietan-3-yl)carbamate;thietan-3-amine

N-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-N-(1,1-dioxothietan-3-yl)acetamide;1-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-1-(1,1-dioxothietan-3-yl)urea;N-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-N-(thietan-3-yl)acetamide;1-(4-chlorobutyl)-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-4-amine;1-[4-[(1,1-dioxothietan-3-yl)amino]butyl]-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-4-amine;2-(2-methoxyethyl)-1-[4-(thietan-3-ylamino)butyl]imidazo[4,5-c]quinolin-4-amine;methyl N-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-N-(1,1-dioxothietan-3-yl)carbamate;thietan-3-amine (PubChem CID 159442443) has the molecular formula C147H197ClN36O20S7 and a molecular weight of 3048.35 g/mol. Its IUPAC name is N-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-N-(1,1-dioxothietan-3-yl)acetamide;1-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-1-(1,1-dioxothietan-3-yl)urea;N-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-N-(thietan-3-yl)acetamide;1-(4-chlorobutyl)-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-4-amine;1-[4-[(1,1-dioxothietan-3-yl)amino]butyl]-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-4-amine;2-(2-methoxyethyl)-1-[4-(thietan-3-ylamino)butyl]imidazo[4,5-c]quinolin-4-amine;methyl N-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-N-(1,1-dioxothietan-3-yl)carbamate;thietan-3-amine.

Molecular Properties

• Compound Name: N-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-N-(1,1-dioxothietan-3-yl)acetamide;1-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-1-(1,1-dioxothietan-3-yl)urea;N-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-N-(thietan-3-yl)acetamide;1-(4-chlorobutyl)-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-4-amine;1-[4-[(1,1-dioxothietan-3-yl)amino]butyl]-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-4-amine;2-(2-methoxyethyl)-1-[4-(thietan-3-ylamino)butyl]imidazo[4,5-c]quinolin-4-amine;methyl N-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-N-(1,1-dioxothietan-3-yl)carbamate;thietan-3-amine
• PubChem CID: 159442443
• Molecular Formula: C147H197ClN36O20S7
• Molecular Weight: 3048.35 g/mol
• Exact Mass: 3045.32
• IUPAC Name: N-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-N-(1,1-dioxothietan-3-yl)acetamide;1-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-1-(1,1-dioxothietan-3-yl)urea;N-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-N-(thietan-3-yl)acetamide;1-(4-chlorobutyl)-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-4-amine;1-[4-[(1,1-dioxothietan-3-yl)amino]butyl]-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-4-amine;2-(2-methoxyethyl)-1-[4-(thietan-3-ylamino)butyl]imidazo[4,5-c]quinolin-4-amine;methyl N-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-N-(1,1-dioxothietan-3-yl)carbamate;thietan-3-amine
• SMILES: COCCc1nc2c(N)nc3ccccc3c2n1CCCCCl.COCCc1nc2c(N)nc3ccccc3c2n1CCCCN(C(=O)OC)C1CS(=O)(=O)C1.COCCc1nc2c(N)nc3ccccc3c2n1CCCCN(C(C)=O)C1CS(=O)(=O)C1.COCCc1nc2c(N)nc3ccccc3c2n1CCCCN(C(C)=O)C1CSC1.COCCc1nc2c(N)nc3ccccc3c2n1CCCCN(C(N)=O)C1CS(=O)(=O)C1.COCCc1nc2c(N)nc3ccccc3c2n1CCCCNC1CS(=O)(=O)C1.COCCc1nc2c(N)nc3ccccc3c2n1CCCCNC1CSC1.NC1CSC1
• InChI: InChI=1S/C22H29N5O5S.C22H29N5O4S.C22H29N5O2S.C21H28N6O4S.C20H27N5O3S.C20H27N5OS.C17H21ClN4O.C3H7NS/c1-31-12-9-18-25-19-20(16-7-3-4-8-17(16)24-21(19)23)27(18)11-6-5-10-26(22(28)32-2)15-13-33(29,30)14-15;1-15(28)26(16-13-32(29,30)14-16)10-5-6-11-27-19(9-12-31-2)25-20-21(27)17-7-3-4-8-18(17)24-22(20)23;1-15(28)26(16-13-30-14-16)10-5-6-11-27-19(9-12-29-2)25-20-21(27)17-7-3-4-8-18(17)24-22(20)23;1-31-11-8-17-25-18-19(15-6-2-3-7-16(15)24-20(18)22)27(17)10-5-4-9-26(21(23)28)14-12-32(29,30)13-14;1-28-11-8-17-24-18-19(15-6-2-3-7-16(15)23-20(18)21)25(17)10-5-4-9-22-14-12-29(26,27)13-14;1-26-11-8-17-24-18-19(15-6-2-3-7-16(15)23-20(18)21)25(17)10-5-4-9-22-14-12-27-13-14;1-23-11-8-14-21-15-16(22(14)10-5-4-9-18)12-6-2-3-7-13(12)20-17(15)19;4-3-1-5-2-3/h3-4,7-8,15H,5-6,9-14H2,1-2H3,(H2,23,24);3-4,7-8,16H,5-6,9-14H2,1-2H3,(H2,23,24);3-4,7-8,16H,5-6,9-14H2,1-2H3,(H2,23,24);2-3,6-7,14H,4-5,8-13H2,1H3,(H2,22,24)(H2,23,28);2-3,6-7,14,22H,4-5,8-13H2,1H3,(H2,21,23);2-3,6-7,14,22H,4-5,8-13H2,1H3,(H2,21,23);2-3,6-7H,4-5,8-11H2,1H3,(H2,19,20);3H,1-2,4H2
• InChIKey: LSILTCPLOVWEJE-UHFFFAOYSA-N
• XLogP: 15.99
• TPSA: 764.85 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 54
• Rotatable Bonds: 61
• Heavy Atoms: 211
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3048.35
LogP ≤ 5	15.99
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	54

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-N-(1,1-dioxothietan-3-yl)acetamide;1-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-1-(1,1-dioxothietan-3-yl)urea;N-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-N-(thietan-3-yl)acetamide;1-(4-chlorobutyl)-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-4-amine;1-[4-[(1,1-dioxothietan-3-yl)amino]butyl]-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-4-amine;2-(2-methoxyethyl)-1-[4-(thietan-3-ylamino)butyl]imidazo[4,5-c]quinolin-4-amine;methyl N-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-N-(1,1-dioxothietan-3-yl)carbamate;thietan-3-amine?

The IUPAC name of N-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-N-(1,1-dioxothietan-3-yl)acetamide;1-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-1-(1,1-dioxothietan-3-yl)urea;N-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-N-(thietan-3-yl)acetamide;1-(4-chlorobutyl)-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-4-amine;1-[4-[(1,1-dioxothietan-3-yl)amino]butyl]-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-4-amine;2-(2-methoxyethyl)-1-[4-(thietan-3-ylamino)butyl]imidazo[4,5-c]quinolin-4-amine;methyl N-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-N-(1,1-dioxothietan-3-yl)carbamate;thietan-3-amine (CID 159442443) is N-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-N-(1,1-dioxothietan-3-yl)acetamide;1-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-1-(1,1-dioxothietan-3-yl)urea;N-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-N-(thietan-3-yl)acetamide;1-(4-chlorobutyl)-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-4-amine;1-[4-[(1,1-dioxothietan-3-yl)amino]butyl]-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-4-amine;2-(2-methoxyethyl)-1-[4-(thietan-3-ylamino)butyl]imidazo[4,5-c]quinolin-4-amine;methyl N-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-N-(1,1-dioxothietan-3-yl)carbamate;thietan-3-amine.

What is the SMILES notation for N-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-N-(1,1-dioxothietan-3-yl)acetamide;1-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-1-(1,1-dioxothietan-3-yl)urea;N-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-N-(thietan-3-yl)acetamide;1-(4-chlorobutyl)-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-4-amine;1-[4-[(1,1-dioxothietan-3-yl)amino]butyl]-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-4-amine;2-(2-methoxyethyl)-1-[4-(thietan-3-ylamino)butyl]imidazo[4,5-c]quinolin-4-amine;methyl N-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-N-(1,1-dioxothietan-3-yl)carbamate;thietan-3-amine?

The canonical SMILES for N-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-N-(1,1-dioxothietan-3-yl)acetamide;1-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-1-(1,1-dioxothietan-3-yl)urea;N-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-N-(thietan-3-yl)acetamide;1-(4-chlorobutyl)-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-4-amine;1-[4-[(1,1-dioxothietan-3-yl)amino]butyl]-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-4-amine;2-(2-methoxyethyl)-1-[4-(thietan-3-ylamino)butyl]imidazo[4,5-c]quinolin-4-amine;methyl N-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-N-(1,1-dioxothietan-3-yl)carbamate;thietan-3-amine is COCCc1nc2c(N)nc3ccccc3c2n1CCCCCl.COCCc1nc2c(N)nc3ccccc3c2n1CCCCN(C(=O)OC)C1CS(=O)(=O)C1.COCCc1nc2c(N)nc3ccccc3c2n1CCCCN(C(C)=O)C1CS(=O)(=O)C1.COCCc1nc2c(N)nc3ccccc3c2n1CCCCN(C(C)=O)C1CSC1.COCCc1nc2c(N)nc3ccccc3c2n1CCCCN(C(N)=O)C1CS(=O)(=O)C1.COCCc1nc2c(N)nc3ccccc3c2n1CCCCNC1CS(=O)(=O)C1.COCCc1nc2c(N)nc3ccccc3c2n1CCCCNC1CSC1.NC1CSC1.

What is the InChIKey of N-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-N-(1,1-dioxothietan-3-yl)acetamide;1-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-1-(1,1-dioxothietan-3-yl)urea;N-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-N-(thietan-3-yl)acetamide;1-(4-chlorobutyl)-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-4-amine;1-[4-[(1,1-dioxothietan-3-yl)amino]butyl]-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-4-amine;2-(2-methoxyethyl)-1-[4-(thietan-3-ylamino)butyl]imidazo[4,5-c]quinolin-4-amine;methyl N-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-N-(1,1-dioxothietan-3-yl)carbamate;thietan-3-amine?

The InChIKey is LSILTCPLOVWEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O5S.C22H29N5O4S.C22H29N5O2S.C21H28N6O4S.C20H27N5O3S.C20H27N5OS.C17H21ClN4O.C3H7NS/c1-31-12-9-18-25-19-20(16-7-3-4-8-17(16)24-21(19)23)27(18)11-6-5-10-26(22(28)32-2)15-13-33(29,30)14-15;1-15(28)26(16-13-32(29,30)14-16)10-5-6-11-27-19(9-12-31-2)25-20-21(27)17-7-3-4-8-18(17)24-22(20)23;1-15(28)26(16-13-30-14-16)10-5-6-11-27-19(9-12-29-2)25-20-21(27)17-7-3-4-8-18(17)24-22(20)23;1-31-11-8-17-25-18-19(15-6-2-3-7-16(15)24-20(18)22)27(17)10-5-4-9-26(21(23)28)14-12-32(29,30)13-14;1-28-11-8-17-24-18-19(15-6-2-3-7-16(15)23-20(18)21)25(17)10-5-4-9-22-14-12-29(26,27)13-14;1-26-11-8-17-24-18-19(15-6-2-3-7-16(15)23-20(18)21)25(17)10-5-4-9-22-14-12-27-13-14;1-23-11-8-14-21-15-16(22(14)10-5-4-9-18)12-6-2-3-7-13(12)20-17(15)19;4-3-1-5-2-3/h3-4,7-8,15H,5-6,9-14H2,1-2H3,(H2,23,24);3-4,7-8,16H,5-6,9-14H2,1-2H3,(H2,23,24);3-4,7-8,16H,5-6,9-14H2,1-2H3,(H2,23,24);2-3,6-7,14H,4-5,8-13H2,1H3,(H2,22,24)(H2,23,28);2-3,6-7,14,22H,4-5,8-13H2,1H3,(H2,21,23);2-3,6-7,14,22H,4-5,8-13H2,1H3,(H2,21,23);2-3,6-7H,4-5,8-11H2,1H3,(H2,19,20);3H,1-2,4H2.

What are the key properties of N-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-N-(1,1-dioxothietan-3-yl)acetamide;1-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-1-(1,1-dioxothietan-3-yl)urea;N-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-N-(thietan-3-yl)acetamide;1-(4-chlorobutyl)-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-4-amine;1-[4-[(1,1-dioxothietan-3-yl)amino]butyl]-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-4-amine;2-(2-methoxyethyl)-1-[4-(thietan-3-ylamino)butyl]imidazo[4,5-c]quinolin-4-amine;methyl N-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-N-(1,1-dioxothietan-3-yl)carbamate;thietan-3-amine?

N-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-N-(1,1-dioxothietan-3-yl)acetamide;1-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-1-(1,1-dioxothietan-3-yl)urea;N-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-N-(thietan-3-yl)acetamide;1-(4-chlorobutyl)-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-4-amine;1-[4-[(1,1-dioxothietan-3-yl)amino]butyl]-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-4-amine;2-(2-methoxyethyl)-1-[4-(thietan-3-ylamino)butyl]imidazo[4,5-c]quinolin-4-amine;methyl N-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-N-(1,1-dioxothietan-3-yl)carbamate;thietan-3-amine has a molecular weight of 3048.35 g/mol, XLogP of 15.99, 61 rotatable bonds, 11 hydrogen bond donors, and 54 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-N-(1,1-dioxothietan-3-yl)acetamide;1-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-1-(1,1-dioxothietan-3-yl)urea;N-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-N-(thietan-3-yl)acetamide;1-(4-chlorobutyl)-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-4-amine;1-[4-[(1,1-dioxothietan-3-yl)amino]butyl]-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-4-amine;2-(2-methoxyethyl)-1-[4-(thietan-3-ylamino)butyl]imidazo[4,5-c]quinolin-4-amine;methyl N-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-N-(1,1-dioxothietan-3-yl)carbamate;thietan-3-amine is sourced from PubChem (CID 159442443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).