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

C24H15F3N4O — CID 44570197

IUPACN-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1nc2ccccc2c2cn(-c3ccccc3)nc12)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C24H15F3N4O/c25-24(26,27)16-12-10-15(11-13-16)23(32)29-22-21-19(18-8-4-5-9-20(18)28-22)14-31(30-21)17-6-2-1-3-7-17/h1-14H,(H,28,29,32)
InChIKeyYNIHCBBKFBEWSW-UHFFFAOYSA-N
MW432.41 g/mol
LogP5.84
Rot. Bonds3

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

N-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)-4-(trifluoromethyl)benzamide (PubChem CID 44570197) has the molecular formula C24H15F3N4O and a molecular weight of 432.41 g/mol. Its IUPAC name is N-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)-4-(trifluoromethyl)benzamide
PubChem CID44570197
Molecular FormulaC24H15F3N4O
Molecular Weight432.41 g/mol
Exact Mass432.12
IUPAC NameN-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1nc2ccccc2c2cn(-c3ccccc3)nc12)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C24H15F3N4O/c25-24(26,27)16-12-10-15(11-13-16)23(32)29-22-21-19(18-8-4-5-9-20(18)28-22)14-31(30-21)17-6-2-1-3-7-17/h1-14H,(H,28,29,32)
InChIKeyYNIHCBBKFBEWSW-UHFFFAOYSA-N
XLogP5.84
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.41
LogP ≤ 55.84
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)-4-(trifluoromethyl)benzamide?
The IUPAC name of N-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)-4-(trifluoromethyl)benzamide (CID 44570197) is N-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)-4-(trifluoromethyl)benzamide is O=C(Nc1nc2ccccc2c2cn(-c3ccccc3)nc12)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)-4-(trifluoromethyl)benzamide?
The InChIKey is YNIHCBBKFBEWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15F3N4O/c25-24(26,27)16-12-10-15(11-13-16)23(32)29-22-21-19(18-8-4-5-9-20(18)28-22)14-31(30-21)17-6-2-1-3-7-17/h1-14H,(H,28,29,32).
What are the key properties of N-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)-4-(trifluoromethyl)benzamide?
N-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 432.41 g/mol, XLogP of 5.84, 3 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)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 44570197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).