1-[[4-(aminomethyl)phenyl]methyl]-2-butylimidazo[4,5-c]quinolin-4-amine;tert-butyl N-[[4-[[(3-amino-2-chloroquinolin-4-yl)amino]methyl]phenyl]methyl]carbamate;tert-butyl N-[[4-(aminomethyl)phenyl]methyl]carbamate;tert-butyl N-[[4-[(4-azido-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]carbamate;tert-butyl N-[[4-[(2-butyl-4-chloroimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]carbamate;tert-butyl N-[[4-[[(2-chloro-3-nitroquinolin-4-yl)amino]methyl]phenyl]methyl]carbamate;2,4-dichloro-3-nitroquinoline;hexacosanoic acid;pentanoyl chloride

C173H220Cl6N28O17 — CID 159235296

About 1-[[4-(aminomethyl)phenyl]methyl]-2-butylimidazo[4,5-c]quinolin-4-amine;tert-butyl N-[[4-[[(3-amino-2-chloroquinolin-4-yl)amino]methyl]phenyl]methyl]carbamate;tert-butyl N-[[4-(aminomethyl)phenyl]methyl]carbamate;tert-butyl N-[[4-[(4-azido-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]carbamate;tert-butyl N-[[4-[(2-butyl-4-chloroimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]carbamate;tert-butyl N-[[4-[[(2-chloro-3-nitroquinolin-4-yl)amino]methyl]phenyl]methyl]carbamate;2,4-dichloro-3-nitroquinoline;hexacosanoic acid;pentanoyl chloride

1-[[4-(aminomethyl)phenyl]methyl]-2-butylimidazo[4,5-c]quinolin-4-amine;tert-butyl N-[[4-[[(3-amino-2-chloroquinolin-4-yl)amino]methyl]phenyl]methyl]carbamate;tert-butyl N-[[4-(aminomethyl)phenyl]methyl]carbamate;tert-butyl N-[[4-[(4-azido-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]carbamate;tert-butyl N-[[4-[(2-butyl-4-chloroimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]carbamate;tert-butyl N-[[4-[[(2-chloro-3-nitroquinolin-4-yl)amino]methyl]phenyl]methyl]carbamate;2,4-dichloro-3-nitroquinoline;hexacosanoic acid;pentanoyl chloride (PubChem CID 159235296) has the molecular formula C173H220Cl6N28O17 and a molecular weight of 3176.56 g/mol. Its IUPAC name is 1-[[4-(aminomethyl)phenyl]methyl]-2-butylimidazo[4,5-c]quinolin-4-amine;tert-butyl N-[[4-[[(3-amino-2-chloroquinolin-4-yl)amino]methyl]phenyl]methyl]carbamate;tert-butyl N-[[4-(aminomethyl)phenyl]methyl]carbamate;tert-butyl N-[[4-[(4-azido-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]carbamate;tert-butyl N-[[4-[(2-butyl-4-chloroimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]carbamate;tert-butyl N-[[4-[[(2-chloro-3-nitroquinolin-4-yl)amino]methyl]phenyl]methyl]carbamate;2,4-dichloro-3-nitroquinoline;hexacosanoic acid;pentanoyl chloride.

Molecular Properties

• Compound Name: 1-[[4-(aminomethyl)phenyl]methyl]-2-butylimidazo[4,5-c]quinolin-4-amine;tert-butyl N-[[4-[[(3-amino-2-chloroquinolin-4-yl)amino]methyl]phenyl]methyl]carbamate;tert-butyl N-[[4-(aminomethyl)phenyl]methyl]carbamate;tert-butyl N-[[4-[(4-azido-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]carbamate;tert-butyl N-[[4-[(2-butyl-4-chloroimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]carbamate;tert-butyl N-[[4-[[(2-chloro-3-nitroquinolin-4-yl)amino]methyl]phenyl]methyl]carbamate;2,4-dichloro-3-nitroquinoline;hexacosanoic acid;pentanoyl chloride
• PubChem CID: 159235296
• Molecular Formula: C173H220Cl6N28O17
• Molecular Weight: 3176.56 g/mol
• Exact Mass: 3171.53
• IUPAC Name: 1-[[4-(aminomethyl)phenyl]methyl]-2-butylimidazo[4,5-c]quinolin-4-amine;tert-butyl N-[[4-[[(3-amino-2-chloroquinolin-4-yl)amino]methyl]phenyl]methyl]carbamate;tert-butyl N-[[4-(aminomethyl)phenyl]methyl]carbamate;tert-butyl N-[[4-[(4-azido-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]carbamate;tert-butyl N-[[4-[(2-butyl-4-chloroimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]carbamate;tert-butyl N-[[4-[[(2-chloro-3-nitroquinolin-4-yl)amino]methyl]phenyl]methyl]carbamate;2,4-dichloro-3-nitroquinoline;hexacosanoic acid;pentanoyl chloride
• SMILES: CC(C)(C)OC(=O)NCc1ccc(CN)cc1.CC(C)(C)OC(=O)NCc1ccc(CNc2c(N)c(Cl)nc3ccccc23)cc1.CC(C)(C)OC(=O)NCc1ccc(CNc2c([N+](=O)[O-])c(Cl)nc3ccccc23)cc1.CCCCC(=O)Cl.CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O.CCCCc1nc2c(Cl)nc3ccccc3c2n1Cc1ccc(CNC(=O)OC(C)(C)C)cc1.CCCCc1nc2c(N)nc3ccccc3c2n1Cc1ccc(CN)cc1.CCCCc1nc2c(N=[N+]=[N-])nc3ccccc3c2n1Cc1ccc(CNC(=O)OC(C)(C)C)cc1.O=[N+]([O-])c1c(Cl)nc2ccccc2c1Cl
• InChI: InChI=1S/C27H31ClN4O2.C27H31N7O2.C26H52O2.C22H23ClN4O4.C22H25ClN4O2.C22H25N5.C13H20N2O2.C9H4Cl2N2O2.C5H9ClO/c1-5-6-11-22-31-23-24(20-9-7-8-10-21(20)30-25(23)28)32(22)17-19-14-12-18(13-15-19)16-29-26(33)34-27(2,3)4;1-5-6-11-22-31-23-24(20-9-7-8-10-21(20)30-25(23)32-33-28)34(22)17-19-14-12-18(13-15-19)16-29-26(35)36-27(2,3)4;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(27)28;1-22(2,3)31-21(28)25-13-15-10-8-14(9-11-15)12-24-18-16-6-4-5-7-17(16)26-20(23)19(18)27(29)30;1-22(2,3)29-21(28)26-13-15-10-8-14(9-11-15)12-25-19-16-6-4-5-7-17(16)27-20(23)18(19)24;1-2-3-8-19-26-20-21(17-6-4-5-7-18(17)25-22(20)24)27(19)14-16-11-9-15(13-23)10-12-16;1-13(2,3)17-12(16)15-9-11-6-4-10(8-14)5-7-11;10-7-5-3-1-2-4-6(5)12-9(11)8(7)13(14)15;1-2-3-4-5(6)7/h7-10,12-15H,5-6,11,16-17H2,1-4H3,(H,29,33);7-10,12-15H,5-6,11,16-17H2,1-4H3,(H,29,35);2-25H2,1H3,(H,27,28);4-11H,12-13H2,1-3H3,(H,24,26)(H,25,28);4-11H,12-13,24H2,1-3H3,(H,25,27)(H,26,28);4-7,9-12H,2-3,8,13-14,23H2,1H3,(H2,24,25);4-7H,8-9,14H2,1-3H3,(H,15,16);1-4H;2-4H2,1H3
• InChIKey: KTJXYLFLZIQJCT-UHFFFAOYSA-N
• XLogP: 45.17
• TPSA: 640.00 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 35
• Rotatable Bonds: 63
• Heavy Atoms: 224
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3176.56
LogP ≤ 5	45.17
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(aminomethyl)phenyl]methyl]-2-butylimidazo[4,5-c]quinolin-4-amine;tert-butyl N-[[4-[[(3-amino-2-chloroquinolin-4-yl)amino]methyl]phenyl]methyl]carbamate;tert-butyl N-[[4-(aminomethyl)phenyl]methyl]carbamate;tert-butyl N-[[4-[(4-azido-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]carbamate;tert-butyl N-[[4-[(2-butyl-4-chloroimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]carbamate;tert-butyl N-[[4-[[(2-chloro-3-nitroquinolin-4-yl)amino]methyl]phenyl]methyl]carbamate;2,4-dichloro-3-nitroquinoline;hexacosanoic acid;pentanoyl chloride?

The IUPAC name of 1-[[4-(aminomethyl)phenyl]methyl]-2-butylimidazo[4,5-c]quinolin-4-amine;tert-butyl N-[[4-[[(3-amino-2-chloroquinolin-4-yl)amino]methyl]phenyl]methyl]carbamate;tert-butyl N-[[4-(aminomethyl)phenyl]methyl]carbamate;tert-butyl N-[[4-[(4-azido-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]carbamate;tert-butyl N-[[4-[(2-butyl-4-chloroimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]carbamate;tert-butyl N-[[4-[[(2-chloro-3-nitroquinolin-4-yl)amino]methyl]phenyl]methyl]carbamate;2,4-dichloro-3-nitroquinoline;hexacosanoic acid;pentanoyl chloride (CID 159235296) is 1-[[4-(aminomethyl)phenyl]methyl]-2-butylimidazo[4,5-c]quinolin-4-amine;tert-butyl N-[[4-[[(3-amino-2-chloroquinolin-4-yl)amino]methyl]phenyl]methyl]carbamate;tert-butyl N-[[4-(aminomethyl)phenyl]methyl]carbamate;tert-butyl N-[[4-[(4-azido-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]carbamate;tert-butyl N-[[4-[(2-butyl-4-chloroimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]carbamate;tert-butyl N-[[4-[[(2-chloro-3-nitroquinolin-4-yl)amino]methyl]phenyl]methyl]carbamate;2,4-dichloro-3-nitroquinoline;hexacosanoic acid;pentanoyl chloride.

What is the SMILES notation for 1-[[4-(aminomethyl)phenyl]methyl]-2-butylimidazo[4,5-c]quinolin-4-amine;tert-butyl N-[[4-[[(3-amino-2-chloroquinolin-4-yl)amino]methyl]phenyl]methyl]carbamate;tert-butyl N-[[4-(aminomethyl)phenyl]methyl]carbamate;tert-butyl N-[[4-[(4-azido-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]carbamate;tert-butyl N-[[4-[(2-butyl-4-chloroimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]carbamate;tert-butyl N-[[4-[[(2-chloro-3-nitroquinolin-4-yl)amino]methyl]phenyl]methyl]carbamate;2,4-dichloro-3-nitroquinoline;hexacosanoic acid;pentanoyl chloride?

The canonical SMILES for 1-[[4-(aminomethyl)phenyl]methyl]-2-butylimidazo[4,5-c]quinolin-4-amine;tert-butyl N-[[4-[[(3-amino-2-chloroquinolin-4-yl)amino]methyl]phenyl]methyl]carbamate;tert-butyl N-[[4-(aminomethyl)phenyl]methyl]carbamate;tert-butyl N-[[4-[(4-azido-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]carbamate;tert-butyl N-[[4-[(2-butyl-4-chloroimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]carbamate;tert-butyl N-[[4-[[(2-chloro-3-nitroquinolin-4-yl)amino]methyl]phenyl]methyl]carbamate;2,4-dichloro-3-nitroquinoline;hexacosanoic acid;pentanoyl chloride is CC(C)(C)OC(=O)NCc1ccc(CN)cc1.CC(C)(C)OC(=O)NCc1ccc(CNc2c(N)c(Cl)nc3ccccc23)cc1.CC(C)(C)OC(=O)NCc1ccc(CNc2c([N+](=O)[O-])c(Cl)nc3ccccc23)cc1.CCCCC(=O)Cl.CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O.CCCCc1nc2c(Cl)nc3ccccc3c2n1Cc1ccc(CNC(=O)OC(C)(C)C)cc1.CCCCc1nc2c(N)nc3ccccc3c2n1Cc1ccc(CN)cc1.CCCCc1nc2c(N=[N+]=[N-])nc3ccccc3c2n1Cc1ccc(CNC(=O)OC(C)(C)C)cc1.O=[N+]([O-])c1c(Cl)nc2ccccc2c1Cl.

What is the InChIKey of 1-[[4-(aminomethyl)phenyl]methyl]-2-butylimidazo[4,5-c]quinolin-4-amine;tert-butyl N-[[4-[[(3-amino-2-chloroquinolin-4-yl)amino]methyl]phenyl]methyl]carbamate;tert-butyl N-[[4-(aminomethyl)phenyl]methyl]carbamate;tert-butyl N-[[4-[(4-azido-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]carbamate;tert-butyl N-[[4-[(2-butyl-4-chloroimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]carbamate;tert-butyl N-[[4-[[(2-chloro-3-nitroquinolin-4-yl)amino]methyl]phenyl]methyl]carbamate;2,4-dichloro-3-nitroquinoline;hexacosanoic acid;pentanoyl chloride?

The InChIKey is KTJXYLFLZIQJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31ClN4O2.C27H31N7O2.C26H52O2.C22H23ClN4O4.C22H25ClN4O2.C22H25N5.C13H20N2O2.C9H4Cl2N2O2.C5H9ClO/c1-5-6-11-22-31-23-24(20-9-7-8-10-21(20)30-25(23)28)32(22)17-19-14-12-18(13-15-19)16-29-26(33)34-27(2,3)4;1-5-6-11-22-31-23-24(20-9-7-8-10-21(20)30-25(23)32-33-28)34(22)17-19-14-12-18(13-15-19)16-29-26(35)36-27(2,3)4;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(27)28;1-22(2,3)31-21(28)25-13-15-10-8-14(9-11-15)12-24-18-16-6-4-5-7-17(16)26-20(23)19(18)27(29)30;1-22(2,3)29-21(28)26-13-15-10-8-14(9-11-15)12-25-19-16-6-4-5-7-17(16)27-20(23)18(19)24;1-2-3-8-19-26-20-21(17-6-4-5-7-18(17)25-22(20)24)27(19)14-16-11-9-15(13-23)10-12-16;1-13(2,3)17-12(16)15-9-11-6-4-10(8-14)5-7-11;10-7-5-3-1-2-4-6(5)12-9(11)8(7)13(14)15;1-2-3-4-5(6)7/h7-10,12-15H,5-6,11,16-17H2,1-4H3,(H,29,33);7-10,12-15H,5-6,11,16-17H2,1-4H3,(H,29,35);2-25H2,1H3,(H,27,28);4-11H,12-13H2,1-3H3,(H,24,26)(H,25,28);4-11H,12-13,24H2,1-3H3,(H,25,27)(H,26,28);4-7,9-12H,2-3,8,13-14,23H2,1H3,(H2,24,25);4-7H,8-9,14H2,1-3H3,(H,15,16);1-4H;2-4H2,1H3.

What are the key properties of 1-[[4-(aminomethyl)phenyl]methyl]-2-butylimidazo[4,5-c]quinolin-4-amine;tert-butyl N-[[4-[[(3-amino-2-chloroquinolin-4-yl)amino]methyl]phenyl]methyl]carbamate;tert-butyl N-[[4-(aminomethyl)phenyl]methyl]carbamate;tert-butyl N-[[4-[(4-azido-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]carbamate;tert-butyl N-[[4-[(2-butyl-4-chloroimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]carbamate;tert-butyl N-[[4-[[(2-chloro-3-nitroquinolin-4-yl)amino]methyl]phenyl]methyl]carbamate;2,4-dichloro-3-nitroquinoline;hexacosanoic acid;pentanoyl chloride?

1-[[4-(aminomethyl)phenyl]methyl]-2-butylimidazo[4,5-c]quinolin-4-amine;tert-butyl N-[[4-[[(3-amino-2-chloroquinolin-4-yl)amino]methyl]phenyl]methyl]carbamate;tert-butyl N-[[4-(aminomethyl)phenyl]methyl]carbamate;tert-butyl N-[[4-[(4-azido-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]carbamate;tert-butyl N-[[4-[(2-butyl-4-chloroimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]carbamate;tert-butyl N-[[4-[[(2-chloro-3-nitroquinolin-4-yl)amino]methyl]phenyl]methyl]carbamate;2,4-dichloro-3-nitroquinoline;hexacosanoic acid;pentanoyl chloride has a molecular weight of 3176.56 g/mol, XLogP of 45.17, 63 rotatable bonds, 12 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[4-(aminomethyl)phenyl]methyl]-2-butylimidazo[4,5-c]quinolin-4-amine;tert-butyl N-[[4-[[(3-amino-2-chloroquinolin-4-yl)amino]methyl]phenyl]methyl]carbamate;tert-butyl N-[[4-(aminomethyl)phenyl]methyl]carbamate;tert-butyl N-[[4-[(4-azido-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]carbamate;tert-butyl N-[[4-[(2-butyl-4-chloroimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]carbamate;tert-butyl N-[[4-[[(2-chloro-3-nitroquinolin-4-yl)amino]methyl]phenyl]methyl]carbamate;2,4-dichloro-3-nitroquinoline;hexacosanoic acid;pentanoyl chloride is sourced from PubChem (CID 159235296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).