N-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)acetamide

C18H14N4O — CID 10518459

IUPACN-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)acetamide
SMILESCC(=O)Nc1nc2ccccc2c2cn(-c3ccccc3)nc12
InChIInChI=1S/C18H14N4O/c1-12(23)19-18-17-15(14-9-5-6-10-16(14)20-18)11-22(21-17)13-7-3-2-4-8-13/h2-11H,1H3,(H,19,20,23)
InChIKeyLJFRBCQBJFKUBA-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.53
Rot. Bonds2

About N-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)acetamide

N-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)acetamide (PubChem CID 10518459) has the molecular formula C18H14N4O and a molecular weight of 302.34 g/mol. Its IUPAC name is N-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)acetamide.

Molecular Properties

Compound NameN-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)acetamide
PubChem CID10518459
Molecular FormulaC18H14N4O
Molecular Weight302.34 g/mol
Exact Mass302.12
IUPAC NameN-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)acetamide
SMILESCC(=O)Nc1nc2ccccc2c2cn(-c3ccccc3)nc12
InChIInChI=1S/C18H14N4O/c1-12(23)19-18-17-15(14-9-5-6-10-16(14)20-18)11-22(21-17)13-7-3-2-4-8-13/h2-11H,1H3,(H,19,20,23)
InChIKeyLJFRBCQBJFKUBA-UHFFFAOYSA-N
XLogP3.53
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)acetamide?
The IUPAC name of N-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)acetamide (CID 10518459) is N-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)acetamide.
What is the SMILES notation for N-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)acetamide?
The canonical SMILES for N-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)acetamide is CC(=O)Nc1nc2ccccc2c2cn(-c3ccccc3)nc12.
What is the InChIKey of N-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)acetamide?
The InChIKey is LJFRBCQBJFKUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O/c1-12(23)19-18-17-15(14-9-5-6-10-16(14)20-18)11-22(21-17)13-7-3-2-4-8-13/h2-11H,1H3,(H,19,20,23).
What are the key properties of N-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)acetamide?
N-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)acetamide has a molecular weight of 302.34 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)acetamide is sourced from PubChem (CID 10518459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).