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

C24H15F3N4O — CID 44570158

IUPACN-[2-[3-(trifluoromethyl)phenyl]pyrazolo[3,4-c]quinolin-4-yl]benzamide
SMILESO=C(Nc1nc2ccccc2c2cn(-c3cccc(C(F)(F)F)c3)nc12)c1ccccc1
InChIInChI=1S/C24H15F3N4O/c25-24(26,27)16-9-6-10-17(13-16)31-14-19-18-11-4-5-12-20(18)28-22(21(19)30-31)29-23(32)15-7-2-1-3-8-15/h1-14H,(H,28,29,32)
InChIKeyRRPZRBCYLJAKJD-UHFFFAOYSA-N
MW432.41 g/mol
LogP5.84
Rot. Bonds3

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

N-[2-[3-(trifluoromethyl)phenyl]pyrazolo[3,4-c]quinolin-4-yl]benzamide (PubChem CID 44570158) has the molecular formula C24H15F3N4O and a molecular weight of 432.41 g/mol. Its IUPAC name is N-[2-[3-(trifluoromethyl)phenyl]pyrazolo[3,4-c]quinolin-4-yl]benzamide.

Molecular Properties

Compound NameN-[2-[3-(trifluoromethyl)phenyl]pyrazolo[3,4-c]quinolin-4-yl]benzamide
PubChem CID44570158
Molecular FormulaC24H15F3N4O
Molecular Weight432.41 g/mol
Exact Mass432.12
IUPAC NameN-[2-[3-(trifluoromethyl)phenyl]pyrazolo[3,4-c]quinolin-4-yl]benzamide
SMILESO=C(Nc1nc2ccccc2c2cn(-c3cccc(C(F)(F)F)c3)nc12)c1ccccc1
InChIInChI=1S/C24H15F3N4O/c25-24(26,27)16-9-6-10-17(13-16)31-14-19-18-11-4-5-12-20(18)28-22(21(19)30-31)29-23(32)15-7-2-1-3-8-15/h1-14H,(H,28,29,32)
InChIKeyRRPZRBCYLJAKJD-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-[3-(trifluoromethyl)phenyl]pyrazolo[3,4-c]quinolin-4-yl]benzamide?
The IUPAC name of N-[2-[3-(trifluoromethyl)phenyl]pyrazolo[3,4-c]quinolin-4-yl]benzamide (CID 44570158) is N-[2-[3-(trifluoromethyl)phenyl]pyrazolo[3,4-c]quinolin-4-yl]benzamide.
What is the SMILES notation for N-[2-[3-(trifluoromethyl)phenyl]pyrazolo[3,4-c]quinolin-4-yl]benzamide?
The canonical SMILES for N-[2-[3-(trifluoromethyl)phenyl]pyrazolo[3,4-c]quinolin-4-yl]benzamide is O=C(Nc1nc2ccccc2c2cn(-c3cccc(C(F)(F)F)c3)nc12)c1ccccc1.
What is the InChIKey of N-[2-[3-(trifluoromethyl)phenyl]pyrazolo[3,4-c]quinolin-4-yl]benzamide?
The InChIKey is RRPZRBCYLJAKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15F3N4O/c25-24(26,27)16-9-6-10-17(13-16)31-14-19-18-11-4-5-12-20(18)28-22(21(19)30-31)29-23(32)15-7-2-1-3-8-15/h1-14H,(H,28,29,32).
What are the key properties of N-[2-[3-(trifluoromethyl)phenyl]pyrazolo[3,4-c]quinolin-4-yl]benzamide?
N-[2-[3-(trifluoromethyl)phenyl]pyrazolo[3,4-c]quinolin-4-yl]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-[3-(trifluoromethyl)phenyl]pyrazolo[3,4-c]quinolin-4-yl]benzamide is sourced from PubChem (CID 44570158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).