methyl 4-amino-2-butyl-1-[[4-(diethylcarbamoyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-(trifluoromethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate

C133H151F3N24O13 — CID 167589969

About methyl 4-amino-2-butyl-1-[[4-(diethylcarbamoyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-(trifluoromethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate

methyl 4-amino-2-butyl-1-[[4-(diethylcarbamoyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-(trifluoromethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate (PubChem CID 167589969) has the molecular formula C133H151F3N24O13 and a molecular weight of 2350.82 g/mol. Its IUPAC name is methyl 4-amino-2-butyl-1-[[4-(diethylcarbamoyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-(trifluoromethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate.

Molecular Properties

• Compound Name: methyl 4-amino-2-butyl-1-[[4-(diethylcarbamoyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-(trifluoromethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate
• PubChem CID: 167589969
• Molecular Formula: C133H151F3N24O13
• Molecular Weight: 2350.82 g/mol
• Exact Mass: 2349.18
• IUPAC Name: methyl 4-amino-2-butyl-1-[[4-(diethylcarbamoyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-(trifluoromethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate
• SMILES: CCCCc1nc2c(N)nc3cc(C(=O)OC)ccc3c2n1Cc1ccc(C(=O)N(CC)CC)cc1.CCCCc1nc2c(N)nc3cc(C(=O)OC)ccc3c2n1Cc1ccc(C(F)(F)F)cc1.CCCCc1nc2c(N)nc3cc(C(=O)OC)ccc3c2n1Cc1ccc(CN2CCN(C)CC2)cc1.CCCCc1nc2c(N)nc3cc(C(=O)OC)ccc3c2n1Cc1ccc(CN2CCOCC2)cc1.CCCCc1nc2c(N)nc3cc(C(=O)OC)ccc3c2n1Cc1ccc(OC)cc1
• InChI: InChI=1S/C29H36N6O2.2C28H33N5O3.C24H23F3N4O2.C24H26N4O3/c1-4-5-6-25-32-26-27(23-12-11-22(29(36)37-3)17-24(23)31-28(26)30)35(25)19-21-9-7-20(8-10-21)18-34-15-13-33(2)14-16-34;1-3-4-5-24-31-25-26(22-11-10-21(28(34)35-2)16-23(22)30-27(25)29)33(24)18-20-8-6-19(7-9-20)17-32-12-14-36-15-13-32;1-5-8-9-23-31-24-25(21-15-14-20(28(35)36-4)16-22(21)30-26(24)29)33(23)17-18-10-12-19(13-11-18)27(34)32(6-2)7-3;1-3-4-5-19-30-20-21(31(19)13-14-6-9-16(10-7-14)24(25,26)27)17-11-8-15(23(32)33-2)12-18(17)29-22(20)28;1-4-5-6-20-27-21-22(28(20)14-15-7-10-17(30-2)11-8-15)18-12-9-16(24(29)31-3)13-19(18)26-23(21)25/h7-12,17H,4-6,13-16,18-19H2,1-3H3,(H2,30,31);6-11,16H,3-5,12-15,17-18H2,1-2H3,(H2,29,30);10-16H,5-9,17H2,1-4H3,(H2,29,30);6-12H,3-5,13H2,1-2H3,(H2,28,29);7-13H,4-6,14H2,1-3H3,(H2,25,26)
• InChIKey: IHOCFOXNOOCSDH-UHFFFAOYSA-N
• XLogP: 22.81
• TPSA: 463.64 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 36
• Rotatable Bonds: 38
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2350.82
LogP ≤ 5	22.81
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-2-butyl-1-[[4-(diethylcarbamoyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-(trifluoromethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate?

The IUPAC name of methyl 4-amino-2-butyl-1-[[4-(diethylcarbamoyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-(trifluoromethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate (CID 167589969) is methyl 4-amino-2-butyl-1-[[4-(diethylcarbamoyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-(trifluoromethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate.

What is the SMILES notation for methyl 4-amino-2-butyl-1-[[4-(diethylcarbamoyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-(trifluoromethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate?

The canonical SMILES for methyl 4-amino-2-butyl-1-[[4-(diethylcarbamoyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-(trifluoromethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate is CCCCc1nc2c(N)nc3cc(C(=O)OC)ccc3c2n1Cc1ccc(C(=O)N(CC)CC)cc1.CCCCc1nc2c(N)nc3cc(C(=O)OC)ccc3c2n1Cc1ccc(C(F)(F)F)cc1.CCCCc1nc2c(N)nc3cc(C(=O)OC)ccc3c2n1Cc1ccc(CN2CCN(C)CC2)cc1.CCCCc1nc2c(N)nc3cc(C(=O)OC)ccc3c2n1Cc1ccc(CN2CCOCC2)cc1.CCCCc1nc2c(N)nc3cc(C(=O)OC)ccc3c2n1Cc1ccc(OC)cc1.

What is the InChIKey of methyl 4-amino-2-butyl-1-[[4-(diethylcarbamoyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-(trifluoromethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate?

The InChIKey is IHOCFOXNOOCSDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N6O2.2C28H33N5O3.C24H23F3N4O2.C24H26N4O3/c1-4-5-6-25-32-26-27(23-12-11-22(29(36)37-3)17-24(23)31-28(26)30)35(25)19-21-9-7-20(8-10-21)18-34-15-13-33(2)14-16-34;1-3-4-5-24-31-25-26(22-11-10-21(28(34)35-2)16-23(22)30-27(25)29)33(24)18-20-8-6-19(7-9-20)17-32-12-14-36-15-13-32;1-5-8-9-23-31-24-25(21-15-14-20(28(35)36-4)16-22(21)30-26(24)29)33(23)17-18-10-12-19(13-11-18)27(34)32(6-2)7-3;1-3-4-5-19-30-20-21(31(19)13-14-6-9-16(10-7-14)24(25,26)27)17-11-8-15(23(32)33-2)12-18(17)29-22(20)28;1-4-5-6-20-27-21-22(28(20)14-15-7-10-17(30-2)11-8-15)18-12-9-16(24(29)31-3)13-19(18)26-23(21)25/h7-12,17H,4-6,13-16,18-19H2,1-3H3,(H2,30,31);6-11,16H,3-5,12-15,17-18H2,1-2H3,(H2,29,30);10-16H,5-9,17H2,1-4H3,(H2,29,30);6-12H,3-5,13H2,1-2H3,(H2,28,29);7-13H,4-6,14H2,1-3H3,(H2,25,26).

What are the key properties of methyl 4-amino-2-butyl-1-[[4-(diethylcarbamoyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-(trifluoromethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate?

methyl 4-amino-2-butyl-1-[[4-(diethylcarbamoyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-(trifluoromethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate has a molecular weight of 2350.82 g/mol, XLogP of 22.81, 38 rotatable bonds, 5 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 4-amino-2-butyl-1-[[4-(diethylcarbamoyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-(trifluoromethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate is sourced from PubChem (CID 167589969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).