6,8-difluoro-1-(4-methoxyphenyl)-3-phenylpyrazolo[4,3-c]quinoline

C23H15F2N3O — CID 20852710

IUPAC6,8-difluoro-1-(4-methoxyphenyl)-3-phenylpyrazolo[4,3-c]quinoline
SMILESCOc1ccc(-n2nc(-c3ccccc3)c3cnc4c(F)cc(F)cc4c32)cc1
InChIInChI=1S/C23H15F2N3O/c1-29-17-9-7-16(8-10-17)28-23-18-11-15(24)12-20(25)22(18)26-13-19(23)21(27-28)14-5-3-2-4-6-14/h2-13H,1H3
InChIKeyXUBQPZLVDHGWOD-UHFFFAOYSA-N
MW387.39 g/mol
LogP5.53
Rot. Bonds3

About 6,8-difluoro-1-(4-methoxyphenyl)-3-phenylpyrazolo[4,3-c]quinoline

6,8-difluoro-1-(4-methoxyphenyl)-3-phenylpyrazolo[4,3-c]quinoline (PubChem CID 20852710) has the molecular formula C23H15F2N3O and a molecular weight of 387.39 g/mol. Its IUPAC name is 6,8-difluoro-1-(4-methoxyphenyl)-3-phenylpyrazolo[4,3-c]quinoline.

Molecular Properties

Compound Name6,8-difluoro-1-(4-methoxyphenyl)-3-phenylpyrazolo[4,3-c]quinoline
PubChem CID20852710
Molecular FormulaC23H15F2N3O
Molecular Weight387.39 g/mol
Exact Mass387.12
IUPAC Name6,8-difluoro-1-(4-methoxyphenyl)-3-phenylpyrazolo[4,3-c]quinoline
SMILESCOc1ccc(-n2nc(-c3ccccc3)c3cnc4c(F)cc(F)cc4c32)cc1
InChIInChI=1S/C23H15F2N3O/c1-29-17-9-7-16(8-10-17)28-23-18-11-15(24)12-20(25)22(18)26-13-19(23)21(27-28)14-5-3-2-4-6-14/h2-13H,1H3
InChIKeyXUBQPZLVDHGWOD-UHFFFAOYSA-N
XLogP5.53
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.39
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,8-difluoro-1-(4-methoxyphenyl)-3-phenylpyrazolo[4,3-c]quinoline?
The IUPAC name of 6,8-difluoro-1-(4-methoxyphenyl)-3-phenylpyrazolo[4,3-c]quinoline (CID 20852710) is 6,8-difluoro-1-(4-methoxyphenyl)-3-phenylpyrazolo[4,3-c]quinoline.
What is the SMILES notation for 6,8-difluoro-1-(4-methoxyphenyl)-3-phenylpyrazolo[4,3-c]quinoline?
The canonical SMILES for 6,8-difluoro-1-(4-methoxyphenyl)-3-phenylpyrazolo[4,3-c]quinoline is COc1ccc(-n2nc(-c3ccccc3)c3cnc4c(F)cc(F)cc4c32)cc1.
What is the InChIKey of 6,8-difluoro-1-(4-methoxyphenyl)-3-phenylpyrazolo[4,3-c]quinoline?
The InChIKey is XUBQPZLVDHGWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F2N3O/c1-29-17-9-7-16(8-10-17)28-23-18-11-15(24)12-20(25)22(18)26-13-19(23)21(27-28)14-5-3-2-4-6-14/h2-13H,1H3.
What are the key properties of 6,8-difluoro-1-(4-methoxyphenyl)-3-phenylpyrazolo[4,3-c]quinoline?
6,8-difluoro-1-(4-methoxyphenyl)-3-phenylpyrazolo[4,3-c]quinoline has a molecular weight of 387.39 g/mol, XLogP of 5.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-difluoro-1-(4-methoxyphenyl)-3-phenylpyrazolo[4,3-c]quinoline is sourced from PubChem (CID 20852710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).