2-(4-methyl-3-oxo-2-phenylpyrazolo[3,4-b]quinolin-9-yl)acetamide

C19H16N4O2 — CID 123806265

IUPAC2-(4-methyl-3-oxo-2-phenylpyrazolo[3,4-b]quinolin-9-yl)acetamide
SMILESCc1c2c(=O)n(-c3ccccc3)nc-2n(CC(N)=O)c2ccccc12
InChIInChI=1S/C19H16N4O2/c1-12-14-9-5-6-10-15(14)22(11-16(20)24)18-17(12)19(25)23(21-18)13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H2,20,24)
InChIKeyHFHFGNKIIQZTHT-UHFFFAOYSA-N
MW332.36 g/mol
LogP2.09
Rot. Bonds3

About 2-(4-methyl-3-oxo-2-phenylpyrazolo[3,4-b]quinolin-9-yl)acetamide

2-(4-methyl-3-oxo-2-phenylpyrazolo[3,4-b]quinolin-9-yl)acetamide (PubChem CID 123806265) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is 2-(4-methyl-3-oxo-2-phenylpyrazolo[3,4-b]quinolin-9-yl)acetamide.

Molecular Properties

Compound Name2-(4-methyl-3-oxo-2-phenylpyrazolo[3,4-b]quinolin-9-yl)acetamide
PubChem CID123806265
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC Name2-(4-methyl-3-oxo-2-phenylpyrazolo[3,4-b]quinolin-9-yl)acetamide
SMILESCc1c2c(=O)n(-c3ccccc3)nc-2n(CC(N)=O)c2ccccc12
InChIInChI=1S/C19H16N4O2/c1-12-14-9-5-6-10-15(14)22(11-16(20)24)18-17(12)19(25)23(21-18)13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H2,20,24)
InChIKeyHFHFGNKIIQZTHT-UHFFFAOYSA-N
XLogP2.09
TPSA82.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-3-oxo-2-phenylpyrazolo[3,4-b]quinolin-9-yl)acetamide?
The IUPAC name of 2-(4-methyl-3-oxo-2-phenylpyrazolo[3,4-b]quinolin-9-yl)acetamide (CID 123806265) is 2-(4-methyl-3-oxo-2-phenylpyrazolo[3,4-b]quinolin-9-yl)acetamide.
What is the SMILES notation for 2-(4-methyl-3-oxo-2-phenylpyrazolo[3,4-b]quinolin-9-yl)acetamide?
The canonical SMILES for 2-(4-methyl-3-oxo-2-phenylpyrazolo[3,4-b]quinolin-9-yl)acetamide is Cc1c2c(=O)n(-c3ccccc3)nc-2n(CC(N)=O)c2ccccc12.
What is the InChIKey of 2-(4-methyl-3-oxo-2-phenylpyrazolo[3,4-b]quinolin-9-yl)acetamide?
The InChIKey is HFHFGNKIIQZTHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c1-12-14-9-5-6-10-15(14)22(11-16(20)24)18-17(12)19(25)23(21-18)13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H2,20,24).
What are the key properties of 2-(4-methyl-3-oxo-2-phenylpyrazolo[3,4-b]quinolin-9-yl)acetamide?
2-(4-methyl-3-oxo-2-phenylpyrazolo[3,4-b]quinolin-9-yl)acetamide has a molecular weight of 332.36 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-3-oxo-2-phenylpyrazolo[3,4-b]quinolin-9-yl)acetamide is sourced from PubChem (CID 123806265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).