7-bromoquinoline-3,4-diamine;tert-butyl N-[(4-amino-7-bromo-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylcarbamate;tert-butyl N-[3-(4-amino-7-bromoquinolin-3-yl)-2-oxopropyl]-N-ethylcarbamate;tert-butyl N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylcarbamate;tert-butyl N-[(7-bromo-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylcarbamate;2-(ethylaminomethyl)-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine;2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid;methane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;hydrochloride

C120H154BBr4ClN32O15 — CID 162000065

About 7-bromoquinoline-3,4-diamine;tert-butyl N-[(4-amino-7-bromo-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylcarbamate;tert-butyl N-[3-(4-amino-7-bromoquinolin-3-yl)-2-oxopropyl]-N-ethylcarbamate;tert-butyl N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylcarbamate;tert-butyl N-[(7-bromo-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylcarbamate;2-(ethylaminomethyl)-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine;2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid;methane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;hydrochloride

7-bromoquinoline-3,4-diamine;tert-butyl N-[(4-amino-7-bromo-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylcarbamate;tert-butyl N-[3-(4-amino-7-bromoquinolin-3-yl)-2-oxopropyl]-N-ethylcarbamate;tert-butyl N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylcarbamate;tert-butyl N-[(7-bromo-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylcarbamate;2-(ethylaminomethyl)-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine;2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid;methane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;hydrochloride (PubChem CID 162000065) has the molecular formula C120H154BBr4ClN32O15 and a molecular weight of 2650.64 g/mol. Its IUPAC name is 7-bromoquinoline-3,4-diamine;tert-butyl N-[(4-amino-7-bromo-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylcarbamate;tert-butyl N-[3-(4-amino-7-bromoquinolin-3-yl)-2-oxopropyl]-N-ethylcarbamate;tert-butyl N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylcarbamate;tert-butyl N-[(7-bromo-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylcarbamate;2-(ethylaminomethyl)-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine;2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid;methane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;hydrochloride.

Molecular Properties

• Compound Name: 7-bromoquinoline-3,4-diamine;tert-butyl N-[(4-amino-7-bromo-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylcarbamate;tert-butyl N-[3-(4-amino-7-bromoquinolin-3-yl)-2-oxopropyl]-N-ethylcarbamate;tert-butyl N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylcarbamate;tert-butyl N-[(7-bromo-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylcarbamate;2-(ethylaminomethyl)-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine;2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid;methane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;hydrochloride
• PubChem CID: 162000065
• Molecular Formula: C120H154BBr4ClN32O15
• Molecular Weight: 2650.64 g/mol
• Exact Mass: 2644.88
• IUPAC Name: 7-bromoquinoline-3,4-diamine;tert-butyl N-[(4-amino-7-bromo-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylcarbamate;tert-butyl N-[3-(4-amino-7-bromoquinolin-3-yl)-2-oxopropyl]-N-ethylcarbamate;tert-butyl N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylcarbamate;tert-butyl N-[(7-bromo-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylcarbamate;2-(ethylaminomethyl)-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine;2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid;methane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;hydrochloride
• SMILES: C.CC1(C)OB(c2ccn[nH]2)OC1(C)C.CCN(CC(=O)Cc1cnc2cc(Br)ccc2c1N)C(=O)OC(C)(C)C.CCN(CC(=O)O)C(=O)OC(C)(C)C.CCN(Cc1nc2c([nH]1)c(N)nc1cc(-c3ccn[nH]3)ccc12)C(=O)OC(C)(C)C.CCN(Cc1nc2c([nH]1)c(N)nc1cc(Br)ccc12)C(=O)OC(C)(C)C.CCN(Cc1nc2c(cnc3cc(Br)ccc32)[nH]1)C(=O)OC(C)(C)C.CCNCc1nc2c([nH]1)c(N)nc1cc(-c3ccn[nH]3)ccc12.Cl.Nc1cnc2cc(Br)ccc2c1N
• InChI: InChI=1S/C21H25N7O2.C19H24BrN3O3.C18H22BrN5O2.C18H21BrN4O2.C16H17N7.C9H15BN2O2.C9H8BrN3.C9H17NO4.CH4.ClH/c1-5-28(20(29)30-21(2,3)4)11-16-25-17-13-7-6-12(14-8-9-23-27-14)10-15(13)24-19(22)18(17)26-16;1-5-23(18(25)26-19(2,3)4)11-14(24)8-12-10-22-16-9-13(20)6-7-15(16)17(12)21;1-5-24(17(25)26-18(2,3)4)9-13-22-14-11-7-6-10(19)8-12(11)21-16(20)15(14)23-13;1-5-23(17(24)25-18(2,3)4)10-15-21-14-9-20-13-8-11(19)6-7-12(13)16(14)22-15;1-2-18-8-13-21-14-10-4-3-9(11-5-6-19-23-11)7-12(10)20-16(17)15(14)22-13;1-8(2)9(3,4)14-10(13-8)7-5-6-11-12-7;10-5-1-2-6-8(3-5)13-4-7(11)9(6)12;1-5-10(6-7(11)12)8(13)14-9(2,3)4;;/h6-10H,5,11H2,1-4H3,(H2,22,24)(H,23,27)(H,25,26);6-7,9-10H,5,8,11H2,1-4H3,(H2,21,22);6-8H,5,9H2,1-4H3,(H2,20,21)(H,22,23);6-9H,5,10H2,1-4H3,(H,21,22);3-7,18H,2,8H2,1H3,(H2,17,20)(H,19,23)(H,21,22);5-6H,1-4H3,(H,11,12);1-4H,11H2,(H2,12,13);5-6H2,1-4H3,(H,11,12);1H4;1H
• InChIKey: ZIPXRWLJIQUBRK-UHFFFAOYSA-N
• XLogP: 24.08
• TPSA: 666.78 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 34
• Rotatable Bonds: 23
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2650.64
LogP ≤ 5	24.08
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-bromoquinoline-3,4-diamine;tert-butyl N-[(4-amino-7-bromo-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylcarbamate;tert-butyl N-[3-(4-amino-7-bromoquinolin-3-yl)-2-oxopropyl]-N-ethylcarbamate;tert-butyl N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylcarbamate;tert-butyl N-[(7-bromo-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylcarbamate;2-(ethylaminomethyl)-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine;2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid;methane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;hydrochloride?

The IUPAC name of 7-bromoquinoline-3,4-diamine;tert-butyl N-[(4-amino-7-bromo-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylcarbamate;tert-butyl N-[3-(4-amino-7-bromoquinolin-3-yl)-2-oxopropyl]-N-ethylcarbamate;tert-butyl N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylcarbamate;tert-butyl N-[(7-bromo-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylcarbamate;2-(ethylaminomethyl)-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine;2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid;methane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;hydrochloride (CID 162000065) is 7-bromoquinoline-3,4-diamine;tert-butyl N-[(4-amino-7-bromo-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylcarbamate;tert-butyl N-[3-(4-amino-7-bromoquinolin-3-yl)-2-oxopropyl]-N-ethylcarbamate;tert-butyl N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylcarbamate;tert-butyl N-[(7-bromo-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylcarbamate;2-(ethylaminomethyl)-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine;2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid;methane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;hydrochloride.

What is the SMILES notation for 7-bromoquinoline-3,4-diamine;tert-butyl N-[(4-amino-7-bromo-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylcarbamate;tert-butyl N-[3-(4-amino-7-bromoquinolin-3-yl)-2-oxopropyl]-N-ethylcarbamate;tert-butyl N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylcarbamate;tert-butyl N-[(7-bromo-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylcarbamate;2-(ethylaminomethyl)-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine;2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid;methane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;hydrochloride?

The canonical SMILES for 7-bromoquinoline-3,4-diamine;tert-butyl N-[(4-amino-7-bromo-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylcarbamate;tert-butyl N-[3-(4-amino-7-bromoquinolin-3-yl)-2-oxopropyl]-N-ethylcarbamate;tert-butyl N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylcarbamate;tert-butyl N-[(7-bromo-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylcarbamate;2-(ethylaminomethyl)-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine;2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid;methane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;hydrochloride is C.CC1(C)OB(c2ccn[nH]2)OC1(C)C.CCN(CC(=O)Cc1cnc2cc(Br)ccc2c1N)C(=O)OC(C)(C)C.CCN(CC(=O)O)C(=O)OC(C)(C)C.CCN(Cc1nc2c([nH]1)c(N)nc1cc(-c3ccn[nH]3)ccc12)C(=O)OC(C)(C)C.CCN(Cc1nc2c([nH]1)c(N)nc1cc(Br)ccc12)C(=O)OC(C)(C)C.CCN(Cc1nc2c(cnc3cc(Br)ccc32)[nH]1)C(=O)OC(C)(C)C.CCNCc1nc2c([nH]1)c(N)nc1cc(-c3ccn[nH]3)ccc12.Cl.Nc1cnc2cc(Br)ccc2c1N.

What is the InChIKey of 7-bromoquinoline-3,4-diamine;tert-butyl N-[(4-amino-7-bromo-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylcarbamate;tert-butyl N-[3-(4-amino-7-bromoquinolin-3-yl)-2-oxopropyl]-N-ethylcarbamate;tert-butyl N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylcarbamate;tert-butyl N-[(7-bromo-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylcarbamate;2-(ethylaminomethyl)-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine;2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid;methane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;hydrochloride?

The InChIKey is ZIPXRWLJIQUBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7O2.C19H24BrN3O3.C18H22BrN5O2.C18H21BrN4O2.C16H17N7.C9H15BN2O2.C9H8BrN3.C9H17NO4.CH4.ClH/c1-5-28(20(29)30-21(2,3)4)11-16-25-17-13-7-6-12(14-8-9-23-27-14)10-15(13)24-19(22)18(17)26-16;1-5-23(18(25)26-19(2,3)4)11-14(24)8-12-10-22-16-9-13(20)6-7-15(16)17(12)21;1-5-24(17(25)26-18(2,3)4)9-13-22-14-11-7-6-10(19)8-12(11)21-16(20)15(14)23-13;1-5-23(17(24)25-18(2,3)4)10-15-21-14-9-20-13-8-11(19)6-7-12(13)16(14)22-15;1-2-18-8-13-21-14-10-4-3-9(11-5-6-19-23-11)7-12(10)20-16(17)15(14)22-13;1-8(2)9(3,4)14-10(13-8)7-5-6-11-12-7;10-5-1-2-6-8(3-5)13-4-7(11)9(6)12;1-5-10(6-7(11)12)8(13)14-9(2,3)4;;/h6-10H,5,11H2,1-4H3,(H2,22,24)(H,23,27)(H,25,26);6-7,9-10H,5,8,11H2,1-4H3,(H2,21,22);6-8H,5,9H2,1-4H3,(H2,20,21)(H,22,23);6-9H,5,10H2,1-4H3,(H,21,22);3-7,18H,2,8H2,1H3,(H2,17,20)(H,19,23)(H,21,22);5-6H,1-4H3,(H,11,12);1-4H,11H2,(H2,12,13);5-6H2,1-4H3,(H,11,12);1H4;1H.

What are the key properties of 7-bromoquinoline-3,4-diamine;tert-butyl N-[(4-amino-7-bromo-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylcarbamate;tert-butyl N-[3-(4-amino-7-bromoquinolin-3-yl)-2-oxopropyl]-N-ethylcarbamate;tert-butyl N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylcarbamate;tert-butyl N-[(7-bromo-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylcarbamate;2-(ethylaminomethyl)-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine;2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid;methane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;hydrochloride?

7-bromoquinoline-3,4-diamine;tert-butyl N-[(4-amino-7-bromo-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylcarbamate;tert-butyl N-[3-(4-amino-7-bromoquinolin-3-yl)-2-oxopropyl]-N-ethylcarbamate;tert-butyl N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylcarbamate;tert-butyl N-[(7-bromo-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylcarbamate;2-(ethylaminomethyl)-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine;2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid;methane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;hydrochloride has a molecular weight of 2650.64 g/mol, XLogP of 24.08, 23 rotatable bonds, 15 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 7-bromoquinoline-3,4-diamine;tert-butyl N-[(4-amino-7-bromo-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylcarbamate;tert-butyl N-[3-(4-amino-7-bromoquinolin-3-yl)-2-oxopropyl]-N-ethylcarbamate;tert-butyl N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylcarbamate;tert-butyl N-[(7-bromo-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylcarbamate;2-(ethylaminomethyl)-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine;2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid;methane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;hydrochloride is sourced from PubChem (CID 162000065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).