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

C22H12ClF2N3 — CID 15990594

IUPAC1-(3-chlorophenyl)-6,8-difluoro-3-phenylpyrazolo[4,3-c]quinoline
SMILESFc1cc(F)c2ncc3c(-c4ccccc4)nn(-c4cccc(Cl)c4)c3c2c1
InChIInChI=1S/C22H12ClF2N3/c23-14-7-4-8-16(9-14)28-22-17-10-15(24)11-19(25)21(17)26-12-18(22)20(27-28)13-5-2-1-3-6-13/h1-12H
InChIKeyDINGIVBHWIRNLI-UHFFFAOYSA-N
MW391.81 g/mol
LogP6.17
Rot. Bonds2

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

1-(3-chlorophenyl)-6,8-difluoro-3-phenylpyrazolo[4,3-c]quinoline (PubChem CID 15990594) has the molecular formula C22H12ClF2N3 and a molecular weight of 391.81 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-6,8-difluoro-3-phenylpyrazolo[4,3-c]quinoline.

Molecular Properties

Compound Name1-(3-chlorophenyl)-6,8-difluoro-3-phenylpyrazolo[4,3-c]quinoline
PubChem CID15990594
Molecular FormulaC22H12ClF2N3
Molecular Weight391.81 g/mol
Exact Mass391.07
IUPAC Name1-(3-chlorophenyl)-6,8-difluoro-3-phenylpyrazolo[4,3-c]quinoline
SMILESFc1cc(F)c2ncc3c(-c4ccccc4)nn(-c4cccc(Cl)c4)c3c2c1
InChIInChI=1S/C22H12ClF2N3/c23-14-7-4-8-16(9-14)28-22-17-10-15(24)11-19(25)21(17)26-12-18(22)20(27-28)13-5-2-1-3-6-13/h1-12H
InChIKeyDINGIVBHWIRNLI-UHFFFAOYSA-N
XLogP6.17
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.81
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-6,8-difluoro-3-phenylpyrazolo[4,3-c]quinoline?
The IUPAC name of 1-(3-chlorophenyl)-6,8-difluoro-3-phenylpyrazolo[4,3-c]quinoline (CID 15990594) is 1-(3-chlorophenyl)-6,8-difluoro-3-phenylpyrazolo[4,3-c]quinoline.
What is the SMILES notation for 1-(3-chlorophenyl)-6,8-difluoro-3-phenylpyrazolo[4,3-c]quinoline?
The canonical SMILES for 1-(3-chlorophenyl)-6,8-difluoro-3-phenylpyrazolo[4,3-c]quinoline is Fc1cc(F)c2ncc3c(-c4ccccc4)nn(-c4cccc(Cl)c4)c3c2c1.
What is the InChIKey of 1-(3-chlorophenyl)-6,8-difluoro-3-phenylpyrazolo[4,3-c]quinoline?
The InChIKey is DINGIVBHWIRNLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12ClF2N3/c23-14-7-4-8-16(9-14)28-22-17-10-15(24)11-19(25)21(17)26-12-18(22)20(27-28)13-5-2-1-3-6-13/h1-12H.
What are the key properties of 1-(3-chlorophenyl)-6,8-difluoro-3-phenylpyrazolo[4,3-c]quinoline?
1-(3-chlorophenyl)-6,8-difluoro-3-phenylpyrazolo[4,3-c]quinoline has a molecular weight of 391.81 g/mol, XLogP of 6.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-6,8-difluoro-3-phenylpyrazolo[4,3-c]quinoline is sourced from PubChem (CID 15990594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).