tert-butyl N-[(4-amino-7-bromo-1-ethylimidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylcarbamate;tert-butyl N-[(4-amino-1-ethyl-7-pyrazol-1-ylimidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylcarbamate;1-ethyl-2-(ethylaminomethyl)-7-pyrazol-1-ylimidazo[4,5-c]quinolin-4-amine;1H-pyrazole;trans-(1S,2S)-cyclohexane-1,2-diamine

C70H94BrN23O4 — CID 160885427

About tert-butyl N-[(4-amino-7-bromo-1-ethylimidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylcarbamate;tert-butyl N-[(4-amino-1-ethyl-7-pyrazol-1-ylimidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylcarbamate;1-ethyl-2-(ethylaminomethyl)-7-pyrazol-1-ylimidazo[4,5-c]quinolin-4-amine;1H-pyrazole;trans-(1S,2S)-cyclohexane-1,2-diamine

tert-butyl N-[(4-amino-7-bromo-1-ethylimidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylcarbamate;tert-butyl N-[(4-amino-1-ethyl-7-pyrazol-1-ylimidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylcarbamate;1-ethyl-2-(ethylaminomethyl)-7-pyrazol-1-ylimidazo[4,5-c]quinolin-4-amine;1H-pyrazole;trans-(1S,2S)-cyclohexane-1,2-diamine (PubChem CID 160885427) has the molecular formula C70H94BrN23O4 and a molecular weight of 1401.58 g/mol. Its IUPAC name is tert-butyl N-[(4-amino-7-bromo-1-ethylimidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylcarbamate;tert-butyl N-[(4-amino-1-ethyl-7-pyrazol-1-ylimidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylcarbamate;1-ethyl-2-(ethylaminomethyl)-7-pyrazol-1-ylimidazo[4,5-c]quinolin-4-amine;1H-pyrazole;trans-(1S,2S)-cyclohexane-1,2-diamine.

Molecular Properties

• Compound Name: tert-butyl N-[(4-amino-7-bromo-1-ethylimidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylcarbamate;tert-butyl N-[(4-amino-1-ethyl-7-pyrazol-1-ylimidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylcarbamate;1-ethyl-2-(ethylaminomethyl)-7-pyrazol-1-ylimidazo[4,5-c]quinolin-4-amine;1H-pyrazole;trans-(1S,2S)-cyclohexane-1,2-diamine
• PubChem CID: 160885427
• Molecular Formula: C70H94BrN23O4
• Molecular Weight: 1401.58 g/mol
• Exact Mass: 1399.70
• IUPAC Name: tert-butyl N-[(4-amino-7-bromo-1-ethylimidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylcarbamate;tert-butyl N-[(4-amino-1-ethyl-7-pyrazol-1-ylimidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylcarbamate;1-ethyl-2-(ethylaminomethyl)-7-pyrazol-1-ylimidazo[4,5-c]quinolin-4-amine;1H-pyrazole;trans-(1S,2S)-cyclohexane-1,2-diamine
• SMILES: CCN(Cc1nc2c(N)nc3cc(-n4cccn4)ccc3c2n1CC)C(=O)OC(C)(C)C.CCN(Cc1nc2c(N)nc3cc(Br)ccc3c2n1CC)C(=O)OC(C)(C)C.CCNCc1nc2c(N)nc3cc(-n4cccn4)ccc3c2n1CC.N[C@H]1CCCC[C@@H]1N.c1cn[nH]c1
• InChI: InChI=1S/C23H29N7O2.C20H26BrN5O2.C18H21N7.C6H14N2.C3H4N2/c1-6-28(22(31)32-23(3,4)5)14-18-27-19-20(29(18)7-2)16-10-9-15(30-12-8-11-25-30)13-17(16)26-21(19)24;1-6-25(19(27)28-20(3,4)5)11-15-24-16-17(26(15)7-2)13-9-8-12(21)10-14(13)23-18(16)22;1-3-20-11-15-23-16-17(24(15)4-2)13-7-6-12(25-9-5-8-21-25)10-14(13)22-18(16)19;7-5-3-1-2-4-6(5)8;1-2-4-5-3-1/h8-13H,6-7,14H2,1-5H3,(H2,24,26);8-10H,6-7,11H2,1-5H3,(H2,22,23);5-10,20H,3-4,11H2,1-2H3,(H2,19,22);5-6H,1-4,7-8H2;1-3H,(H,4,5)/t;;;5-,6-;/m...0./s1
• InChIKey: SNOMUBFQTWMGKF-SFGHUIBFSA-N
• XLogP: 11.94
• TPSA: 357.66 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 24
• Rotatable Bonds: 14
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1401.58
LogP ≤ 5	11.94
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(4-amino-7-bromo-1-ethylimidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylcarbamate;tert-butyl N-[(4-amino-1-ethyl-7-pyrazol-1-ylimidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylcarbamate;1-ethyl-2-(ethylaminomethyl)-7-pyrazol-1-ylimidazo[4,5-c]quinolin-4-amine;1H-pyrazole;trans-(1S,2S)-cyclohexane-1,2-diamine?

The IUPAC name of tert-butyl N-[(4-amino-7-bromo-1-ethylimidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylcarbamate;tert-butyl N-[(4-amino-1-ethyl-7-pyrazol-1-ylimidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylcarbamate;1-ethyl-2-(ethylaminomethyl)-7-pyrazol-1-ylimidazo[4,5-c]quinolin-4-amine;1H-pyrazole;trans-(1S,2S)-cyclohexane-1,2-diamine (CID 160885427) is tert-butyl N-[(4-amino-7-bromo-1-ethylimidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylcarbamate;tert-butyl N-[(4-amino-1-ethyl-7-pyrazol-1-ylimidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylcarbamate;1-ethyl-2-(ethylaminomethyl)-7-pyrazol-1-ylimidazo[4,5-c]quinolin-4-amine;1H-pyrazole;trans-(1S,2S)-cyclohexane-1,2-diamine.

What is the SMILES notation for tert-butyl N-[(4-amino-7-bromo-1-ethylimidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylcarbamate;tert-butyl N-[(4-amino-1-ethyl-7-pyrazol-1-ylimidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylcarbamate;1-ethyl-2-(ethylaminomethyl)-7-pyrazol-1-ylimidazo[4,5-c]quinolin-4-amine;1H-pyrazole;trans-(1S,2S)-cyclohexane-1,2-diamine?

The canonical SMILES for tert-butyl N-[(4-amino-7-bromo-1-ethylimidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylcarbamate;tert-butyl N-[(4-amino-1-ethyl-7-pyrazol-1-ylimidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylcarbamate;1-ethyl-2-(ethylaminomethyl)-7-pyrazol-1-ylimidazo[4,5-c]quinolin-4-amine;1H-pyrazole;trans-(1S,2S)-cyclohexane-1,2-diamine is CCN(Cc1nc2c(N)nc3cc(-n4cccn4)ccc3c2n1CC)C(=O)OC(C)(C)C.CCN(Cc1nc2c(N)nc3cc(Br)ccc3c2n1CC)C(=O)OC(C)(C)C.CCNCc1nc2c(N)nc3cc(-n4cccn4)ccc3c2n1CC.N[C@H]1CCCC[C@@H]1N.c1cn[nH]c1.

What is the InChIKey of tert-butyl N-[(4-amino-7-bromo-1-ethylimidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylcarbamate;tert-butyl N-[(4-amino-1-ethyl-7-pyrazol-1-ylimidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylcarbamate;1-ethyl-2-(ethylaminomethyl)-7-pyrazol-1-ylimidazo[4,5-c]quinolin-4-amine;1H-pyrazole;trans-(1S,2S)-cyclohexane-1,2-diamine?

The InChIKey is SNOMUBFQTWMGKF-SFGHUIBFSA-N. The full InChI is InChI=1S/C23H29N7O2.C20H26BrN5O2.C18H21N7.C6H14N2.C3H4N2/c1-6-28(22(31)32-23(3,4)5)14-18-27-19-20(29(18)7-2)16-10-9-15(30-12-8-11-25-30)13-17(16)26-21(19)24;1-6-25(19(27)28-20(3,4)5)11-15-24-16-17(26(15)7-2)13-9-8-12(21)10-14(13)23-18(16)22;1-3-20-11-15-23-16-17(24(15)4-2)13-7-6-12(25-9-5-8-21-25)10-14(13)22-18(16)19;7-5-3-1-2-4-6(5)8;1-2-4-5-3-1/h8-13H,6-7,14H2,1-5H3,(H2,24,26);8-10H,6-7,11H2,1-5H3,(H2,22,23);5-10,20H,3-4,11H2,1-2H3,(H2,19,22);5-6H,1-4,7-8H2;1-3H,(H,4,5)/t;;;5-,6-;/m...0./s1.

What are the key properties of tert-butyl N-[(4-amino-7-bromo-1-ethylimidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylcarbamate;tert-butyl N-[(4-amino-1-ethyl-7-pyrazol-1-ylimidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylcarbamate;1-ethyl-2-(ethylaminomethyl)-7-pyrazol-1-ylimidazo[4,5-c]quinolin-4-amine;1H-pyrazole;trans-(1S,2S)-cyclohexane-1,2-diamine?

tert-butyl N-[(4-amino-7-bromo-1-ethylimidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylcarbamate;tert-butyl N-[(4-amino-1-ethyl-7-pyrazol-1-ylimidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylcarbamate;1-ethyl-2-(ethylaminomethyl)-7-pyrazol-1-ylimidazo[4,5-c]quinolin-4-amine;1H-pyrazole;trans-(1S,2S)-cyclohexane-1,2-diamine has a molecular weight of 1401.58 g/mol, XLogP of 11.94, 14 rotatable bonds, 7 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[(4-amino-7-bromo-1-ethylimidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylcarbamate;tert-butyl N-[(4-amino-1-ethyl-7-pyrazol-1-ylimidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylcarbamate;1-ethyl-2-(ethylaminomethyl)-7-pyrazol-1-ylimidazo[4,5-c]quinolin-4-amine;1H-pyrazole;trans-(1S,2S)-cyclohexane-1,2-diamine is sourced from PubChem (CID 160885427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).