2-[3-(4-ethoxyphenyl)pyrazolo[4,5-c]quinolin-1-yl]-N-(3-methylphenyl)acetamide

C27H24N4O2 — CID 20952261

IUPAC2-[3-(4-ethoxyphenyl)pyrazolo[4,5-c]quinolin-1-yl]-N-(3-methylphenyl)acetamide
SMILESCCOc1ccc(-c2nn(CC(=O)Nc3cccc(C)c3)c3c2cnc2ccccc23)cc1
InChIInChI=1S/C27H24N4O2/c1-3-33-21-13-11-19(12-14-21)26-23-16-28-24-10-5-4-9-22(24)27(23)31(30-26)17-25(32)29-20-8-6-7-18(2)15-20/h4-16H,3,17H2,1-2H3,(H,29,32)
InChIKeyPWWZIHSVXAZWIC-UHFFFAOYSA-N
MW436.52 g/mol
LogP5.60
Rot. Bonds6

About 2-[3-(4-ethoxyphenyl)pyrazolo[4,5-c]quinolin-1-yl]-N-(3-methylphenyl)acetamide

2-[3-(4-ethoxyphenyl)pyrazolo[4,5-c]quinolin-1-yl]-N-(3-methylphenyl)acetamide (PubChem CID 20952261) has the molecular formula C27H24N4O2 and a molecular weight of 436.52 g/mol. Its IUPAC name is 2-[3-(4-ethoxyphenyl)pyrazolo[4,5-c]quinolin-1-yl]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(4-ethoxyphenyl)pyrazolo[4,5-c]quinolin-1-yl]-N-(3-methylphenyl)acetamide
PubChem CID20952261
Molecular FormulaC27H24N4O2
Molecular Weight436.52 g/mol
Exact Mass436.19
IUPAC Name2-[3-(4-ethoxyphenyl)pyrazolo[4,5-c]quinolin-1-yl]-N-(3-methylphenyl)acetamide
SMILESCCOc1ccc(-c2nn(CC(=O)Nc3cccc(C)c3)c3c2cnc2ccccc23)cc1
InChIInChI=1S/C27H24N4O2/c1-3-33-21-13-11-19(12-14-21)26-23-16-28-24-10-5-4-9-22(24)27(23)31(30-26)17-25(32)29-20-8-6-7-18(2)15-20/h4-16H,3,17H2,1-2H3,(H,29,32)
InChIKeyPWWZIHSVXAZWIC-UHFFFAOYSA-N
XLogP5.60
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.52
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-ethoxyphenyl)pyrazolo[4,5-c]quinolin-1-yl]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[3-(4-ethoxyphenyl)pyrazolo[4,5-c]quinolin-1-yl]-N-(3-methylphenyl)acetamide (CID 20952261) is 2-[3-(4-ethoxyphenyl)pyrazolo[4,5-c]quinolin-1-yl]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[3-(4-ethoxyphenyl)pyrazolo[4,5-c]quinolin-1-yl]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[3-(4-ethoxyphenyl)pyrazolo[4,5-c]quinolin-1-yl]-N-(3-methylphenyl)acetamide is CCOc1ccc(-c2nn(CC(=O)Nc3cccc(C)c3)c3c2cnc2ccccc23)cc1.
What is the InChIKey of 2-[3-(4-ethoxyphenyl)pyrazolo[4,5-c]quinolin-1-yl]-N-(3-methylphenyl)acetamide?
The InChIKey is PWWZIHSVXAZWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O2/c1-3-33-21-13-11-19(12-14-21)26-23-16-28-24-10-5-4-9-22(24)27(23)31(30-26)17-25(32)29-20-8-6-7-18(2)15-20/h4-16H,3,17H2,1-2H3,(H,29,32).
What are the key properties of 2-[3-(4-ethoxyphenyl)pyrazolo[4,5-c]quinolin-1-yl]-N-(3-methylphenyl)acetamide?
2-[3-(4-ethoxyphenyl)pyrazolo[4,5-c]quinolin-1-yl]-N-(3-methylphenyl)acetamide has a molecular weight of 436.52 g/mol, XLogP of 5.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-ethoxyphenyl)pyrazolo[4,5-c]quinolin-1-yl]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 20952261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).