1-(2-methoxyphenyl)-3-phenyl-7-(trifluoromethyl)pyrazolo[4,3-c]quinoline

C24H16F3N3O — CID 15990620

IUPAC1-(2-methoxyphenyl)-3-phenyl-7-(trifluoromethyl)pyrazolo[4,3-c]quinoline
SMILESCOc1ccccc1-n1nc(-c2ccccc2)c2cnc3cc(C(F)(F)F)ccc3c21
InChIInChI=1S/C24H16F3N3O/c1-31-21-10-6-5-9-20(21)30-23-17-12-11-16(24(25,26)27)13-19(17)28-14-18(23)22(29-30)15-7-3-2-4-8-15/h2-14H,1H3
InChIKeyRWCVMEKJBKJFJD-UHFFFAOYSA-N
MW419.41 g/mol
LogP6.27
Rot. Bonds3

About 1-(2-methoxyphenyl)-3-phenyl-7-(trifluoromethyl)pyrazolo[4,3-c]quinoline

1-(2-methoxyphenyl)-3-phenyl-7-(trifluoromethyl)pyrazolo[4,3-c]quinoline (PubChem CID 15990620) has the molecular formula C24H16F3N3O and a molecular weight of 419.41 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-phenyl-7-(trifluoromethyl)pyrazolo[4,3-c]quinoline.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-phenyl-7-(trifluoromethyl)pyrazolo[4,3-c]quinoline
PubChem CID15990620
Molecular FormulaC24H16F3N3O
Molecular Weight419.41 g/mol
Exact Mass419.12
IUPAC Name1-(2-methoxyphenyl)-3-phenyl-7-(trifluoromethyl)pyrazolo[4,3-c]quinoline
SMILESCOc1ccccc1-n1nc(-c2ccccc2)c2cnc3cc(C(F)(F)F)ccc3c21
InChIInChI=1S/C24H16F3N3O/c1-31-21-10-6-5-9-20(21)30-23-17-12-11-16(24(25,26)27)13-19(17)28-14-18(23)22(29-30)15-7-3-2-4-8-15/h2-14H,1H3
InChIKeyRWCVMEKJBKJFJD-UHFFFAOYSA-N
XLogP6.27
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.41
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-((4-(1-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy)methyl)quinoline
CID 11581936
2-{4-[4-Pyridin-4-YL-1-(2,2,2-trifluoro-ethyl)-1H-pyrazol-3-YL]-phenoxymethyl}-quinoline
CID 11648276
2-[4-(1-Ethyl-4-pyridin-4-yl-1H-pyrazol-3-yl)-phenoxymethyl]-quinoline
CID 11682906
4-Methoxy-2-phenyl-2H-pyrazolo[4,3-c]quinoline
CID 11196622
6-Fluoro-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoline
CID 11669507
2-[[4-[1-(2-(18F)fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]quinoline
CID 46893367
2-[[4-[1-(2-Fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]quinoline
CID 57400861
3-[2-Fluoro-5-(trifluoromethyl)phenyl]-7-methoxy-1-(pyrazin-2-ylmethyl)indazole
CID 134611931
4-Fluoro-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoline
CID 122193703
4-(Fluoromethyl)-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoline
CID 122193704
6-Fluoro-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-5-yl)phenoxy]methyl]quinoline
CID 122193935
3-(4-ethylphenyl)-8-methoxy-1-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinoline
CID 15990631

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-phenyl-7-(trifluoromethyl)pyrazolo[4,3-c]quinoline?
The IUPAC name of 1-(2-methoxyphenyl)-3-phenyl-7-(trifluoromethyl)pyrazolo[4,3-c]quinoline (CID 15990620) is 1-(2-methoxyphenyl)-3-phenyl-7-(trifluoromethyl)pyrazolo[4,3-c]quinoline.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-phenyl-7-(trifluoromethyl)pyrazolo[4,3-c]quinoline?
The canonical SMILES for 1-(2-methoxyphenyl)-3-phenyl-7-(trifluoromethyl)pyrazolo[4,3-c]quinoline is COc1ccccc1-n1nc(-c2ccccc2)c2cnc3cc(C(F)(F)F)ccc3c21.
What is the InChIKey of 1-(2-methoxyphenyl)-3-phenyl-7-(trifluoromethyl)pyrazolo[4,3-c]quinoline?
The InChIKey is RWCVMEKJBKJFJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F3N3O/c1-31-21-10-6-5-9-20(21)30-23-17-12-11-16(24(25,26)27)13-19(17)28-14-18(23)22(29-30)15-7-3-2-4-8-15/h2-14H,1H3.
What are the key properties of 1-(2-methoxyphenyl)-3-phenyl-7-(trifluoromethyl)pyrazolo[4,3-c]quinoline?
1-(2-methoxyphenyl)-3-phenyl-7-(trifluoromethyl)pyrazolo[4,3-c]quinoline has a molecular weight of 419.41 g/mol, XLogP of 6.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3-phenyl-7-(trifluoromethyl)pyrazolo[4,3-c]quinoline is sourced from PubChem (CID 15990620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).