N-[[4-amino-1-[(4-methoxyphenyl)methyl]-7-pyrazol-1-ylimidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide;N-[(4-amino-7-pyrazol-1-yl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylacetamide

C₄₄H₄₆N₁₄O₃ — CID 159946318

About N-[[4-amino-1-[(4-methoxyphenyl)methyl]-7-pyrazol-1-ylimidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide;N-[(4-amino-7-pyrazol-1-yl-3H-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;N-[(4-amino-7-pyrazol-1-yl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylacetamide (PubChem CID 159946318) has the molecular formula C₄₄H₄₆N₁₄O₃ and a molecular weight of 818.95 g/mol. Its IUPAC name is N-[[4-amino-1-[(4-methoxyphenyl)methyl]-7-pyrazol-1-ylimidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide;N-[(4-amino-7-pyrazol-1-yl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylacetamide.

Molecular Properties

• Compound Name: N-[[4-amino-1-[(4-methoxyphenyl)methyl]-7-pyrazol-1-ylimidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide;N-[(4-amino-7-pyrazol-1-yl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylacetamide
• PubChem CID: 159946318
• Molecular Formula: C₄₄H₄₆N₁₄O₃
• Molecular Weight: 818.95 g/mol
• Exact Mass: 818.39
• IUPAC Name: N-[[4-amino-1-[(4-methoxyphenyl)methyl]-7-pyrazol-1-ylimidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide;N-[(4-amino-7-pyrazol-1-yl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylacetamide
• SMILES: CCN(Cc1nc2c(N)nc3cc(-n4cccn4)ccc3c2n1Cc1ccc(OC)cc1)C(C)=O.CCN(Cc1nc2c([nH]1)c(N)nc1cc(-n3cccn3)ccc12)C(C)=O
• InChI: InChI=1S/C26H27N7O2.C18H19N7O/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;1-3-24(11(2)26)10-15-22-16-13-6-5-12(25-8-4-7-20-25)9-14(13)21-18(19)17(16)23-15/h5-14H,4,15-16H2,1-3H3,(H2,27,29);4-9H,3,10H2,1-2H3,(H2,19,21)(H,22,23)
• InChIKey: OBNOUDUDFPYNLT-UHFFFAOYSA-N
• XLogP: 6.03
• TPSA: 209.81 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 11
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	818.95
LogP ≤ 5	6.03
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of N-[[4-amino-1-[(4-methoxyphenyl)methyl]-7-pyrazol-1-ylimidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide;N-[(4-amino-7-pyrazol-1-yl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylacetamide?

The IUPAC name of N-[[4-amino-1-[(4-methoxyphenyl)methyl]-7-pyrazol-1-ylimidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide;N-[(4-amino-7-pyrazol-1-yl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylacetamide (CID 159946318) is N-[[4-amino-1-[(4-methoxyphenyl)methyl]-7-pyrazol-1-ylimidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide;N-[(4-amino-7-pyrazol-1-yl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylacetamide.

What is the SMILES notation for N-[[4-amino-1-[(4-methoxyphenyl)methyl]-7-pyrazol-1-ylimidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide;N-[(4-amino-7-pyrazol-1-yl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylacetamide?

The canonical SMILES for N-[[4-amino-1-[(4-methoxyphenyl)methyl]-7-pyrazol-1-ylimidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide;N-[(4-amino-7-pyrazol-1-yl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylacetamide is CCN(Cc1nc2c(N)nc3cc(-n4cccn4)ccc3c2n1Cc1ccc(OC)cc1)C(C)=O.CCN(Cc1nc2c([nH]1)c(N)nc1cc(-n3cccn3)ccc12)C(C)=O.

What is the InChIKey of N-[[4-amino-1-[(4-methoxyphenyl)methyl]-7-pyrazol-1-ylimidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide;N-[(4-amino-7-pyrazol-1-yl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylacetamide?

The InChIKey is OBNOUDUDFPYNLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N7O2.C18H19N7O/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;1-3-24(11(2)26)10-15-22-16-13-6-5-12(25-8-4-7-20-25)9-14(13)21-18(19)17(16)23-15/h5-14H,4,15-16H2,1-3H3,(H2,27,29);4-9H,3,10H2,1-2H3,(H2,19,21)(H,22,23).

What are the key properties of N-[[4-amino-1-[(4-methoxyphenyl)methyl]-7-pyrazol-1-ylimidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide;N-[(4-amino-7-pyrazol-1-yl-3H-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;N-[(4-amino-7-pyrazol-1-yl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylacetamide has a molecular weight of 818.95 g/mol, XLogP of 6.03, 11 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-amino-1-[(4-methoxyphenyl)methyl]-7-pyrazol-1-ylimidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide;N-[(4-amino-7-pyrazol-1-yl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylacetamide is sourced from PubChem (CID 159946318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159946318 — identifiers, structure, computed properties (public domain)

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