N-[[4-amino-7-bromo-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide;N-[[4-amino-1-[(4-methoxyphenyl)methyl]-7-pyrazol-1-ylimidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide;1H-pyrazole

C52H55BrN14O4 — CID 161066931

About N-[[4-amino-7-bromo-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide;N-[[4-amino-1-[(4-methoxyphenyl)methyl]-7-pyrazol-1-ylimidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide;1H-pyrazole

N-[[4-amino-7-bromo-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide;N-[[4-amino-1-[(4-methoxyphenyl)methyl]-7-pyrazol-1-ylimidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide;1H-pyrazole (PubChem CID 161066931) has the molecular formula C52H55BrN14O4 and a molecular weight of 1020.01 g/mol. Its IUPAC name is N-[[4-amino-7-bromo-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide;N-[[4-amino-1-[(4-methoxyphenyl)methyl]-7-pyrazol-1-ylimidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide;1H-pyrazole.

Molecular Properties

• Compound Name: N-[[4-amino-7-bromo-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide;N-[[4-amino-1-[(4-methoxyphenyl)methyl]-7-pyrazol-1-ylimidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide;1H-pyrazole
• PubChem CID: 161066931
• Molecular Formula: C52H55BrN14O4
• Molecular Weight: 1020.01 g/mol
• Exact Mass: 1018.37
• IUPAC Name: N-[[4-amino-7-bromo-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide;N-[[4-amino-1-[(4-methoxyphenyl)methyl]-7-pyrazol-1-ylimidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide;1H-pyrazole
• SMILES: CCN(Cc1nc2c(N)nc3cc(-n4cccn4)ccc3c2n1Cc1ccc(OC)cc1)C(C)=O.CCN(Cc1nc2c(N)nc3cc(Br)ccc3c2n1Cc1ccc(OC)cc1)C(C)=O.c1cn[nH]c1
• InChI: InChI=1S/C26H27N7O2.C23H24BrN5O2.C3H4N2/c1-4-31(17(2)34)16-23-30-24-25(32(23)15-18-6-9-20(35-3)10-7-18)21-11-8-19(33-13-5-12-28-33)14-22(21)29-26(24)27;1-4-28(14(2)30)13-20-27-21-22(18-10-7-16(24)11-19(18)26-23(21)25)29(20)12-15-5-8-17(31-3)9-6-15;1-2-4-5-3-1/h5-14H,4,15-16H2,1-3H3,(H2,27,29);5-11H,4,12-13H2,1-3H3,(H2,25,26);1-3H,(H,4,5)
• InChIKey: UEDNBNXHEYZXHC-UHFFFAOYSA-N
• XLogP: 8.54
• TPSA: 219.04 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 13
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1020.01
LogP ≤ 5	8.54
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of N-[[4-amino-7-bromo-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide;N-[[4-amino-1-[(4-methoxyphenyl)methyl]-7-pyrazol-1-ylimidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide;1H-pyrazole?

The IUPAC name of N-[[4-amino-7-bromo-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide;N-[[4-amino-1-[(4-methoxyphenyl)methyl]-7-pyrazol-1-ylimidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide;1H-pyrazole (CID 161066931) is N-[[4-amino-7-bromo-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide;N-[[4-amino-1-[(4-methoxyphenyl)methyl]-7-pyrazol-1-ylimidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide;1H-pyrazole.

What is the SMILES notation for N-[[4-amino-7-bromo-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide;N-[[4-amino-1-[(4-methoxyphenyl)methyl]-7-pyrazol-1-ylimidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide;1H-pyrazole?

The canonical SMILES for N-[[4-amino-7-bromo-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide;N-[[4-amino-1-[(4-methoxyphenyl)methyl]-7-pyrazol-1-ylimidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide;1H-pyrazole is CCN(Cc1nc2c(N)nc3cc(-n4cccn4)ccc3c2n1Cc1ccc(OC)cc1)C(C)=O.CCN(Cc1nc2c(N)nc3cc(Br)ccc3c2n1Cc1ccc(OC)cc1)C(C)=O.c1cn[nH]c1.

What is the InChIKey of N-[[4-amino-7-bromo-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide;N-[[4-amino-1-[(4-methoxyphenyl)methyl]-7-pyrazol-1-ylimidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide;1H-pyrazole?

The InChIKey is UEDNBNXHEYZXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N7O2.C23H24BrN5O2.C3H4N2/c1-4-31(17(2)34)16-23-30-24-25(32(23)15-18-6-9-20(35-3)10-7-18)21-11-8-19(33-13-5-12-28-33)14-22(21)29-26(24)27;1-4-28(14(2)30)13-20-27-21-22(18-10-7-16(24)11-19(18)26-23(21)25)29(20)12-15-5-8-17(31-3)9-6-15;1-2-4-5-3-1/h5-14H,4,15-16H2,1-3H3,(H2,27,29);5-11H,4,12-13H2,1-3H3,(H2,25,26);1-3H,(H,4,5).

What are the key properties of N-[[4-amino-7-bromo-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide;N-[[4-amino-1-[(4-methoxyphenyl)methyl]-7-pyrazol-1-ylimidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide;1H-pyrazole?

N-[[4-amino-7-bromo-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide;N-[[4-amino-1-[(4-methoxyphenyl)methyl]-7-pyrazol-1-ylimidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide;1H-pyrazole has a molecular weight of 1020.01 g/mol, XLogP of 8.54, 13 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-amino-7-bromo-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide;N-[[4-amino-1-[(4-methoxyphenyl)methyl]-7-pyrazol-1-ylimidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide;1H-pyrazole is sourced from PubChem (CID 161066931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).