1-(4-fluorophenyl)-7-methyl-3-phenylpyrazolo[4,3-c]quinoline

C23H16FN3 — CID 20852445

IUPAC1-(4-fluorophenyl)-7-methyl-3-phenylpyrazolo[4,3-c]quinoline
SMILESCc1ccc2c(c1)ncc1c(-c3ccccc3)nn(-c3ccc(F)cc3)c12
InChIInChI=1S/C23H16FN3/c1-15-7-12-19-21(13-15)25-14-20-22(16-5-3-2-4-6-16)26-27(23(19)20)18-10-8-17(24)9-11-18/h2-14H,1H3
InChIKeyPTVOFKHLJYWAEA-UHFFFAOYSA-N
MW353.40 g/mol
LogP5.69
Rot. Bonds2

About 1-(4-fluorophenyl)-7-methyl-3-phenylpyrazolo[4,3-c]quinoline

1-(4-fluorophenyl)-7-methyl-3-phenylpyrazolo[4,3-c]quinoline (PubChem CID 20852445) has the molecular formula C23H16FN3 and a molecular weight of 353.40 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-7-methyl-3-phenylpyrazolo[4,3-c]quinoline.

Molecular Properties

Compound Name1-(4-fluorophenyl)-7-methyl-3-phenylpyrazolo[4,3-c]quinoline
PubChem CID20852445
Molecular FormulaC23H16FN3
Molecular Weight353.40 g/mol
Exact Mass353.13
IUPAC Name1-(4-fluorophenyl)-7-methyl-3-phenylpyrazolo[4,3-c]quinoline
SMILESCc1ccc2c(c1)ncc1c(-c3ccccc3)nn(-c3ccc(F)cc3)c12
InChIInChI=1S/C23H16FN3/c1-15-7-12-19-21(13-15)25-14-20-22(16-5-3-2-4-6-16)26-27(23(19)20)18-10-8-17(24)9-11-18/h2-14H,1H3
InChIKeyPTVOFKHLJYWAEA-UHFFFAOYSA-N
XLogP5.69
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.40
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-7-methyl-3-phenylpyrazolo[4,3-c]quinoline?
The IUPAC name of 1-(4-fluorophenyl)-7-methyl-3-phenylpyrazolo[4,3-c]quinoline (CID 20852445) is 1-(4-fluorophenyl)-7-methyl-3-phenylpyrazolo[4,3-c]quinoline.
What is the SMILES notation for 1-(4-fluorophenyl)-7-methyl-3-phenylpyrazolo[4,3-c]quinoline?
The canonical SMILES for 1-(4-fluorophenyl)-7-methyl-3-phenylpyrazolo[4,3-c]quinoline is Cc1ccc2c(c1)ncc1c(-c3ccccc3)nn(-c3ccc(F)cc3)c12.
What is the InChIKey of 1-(4-fluorophenyl)-7-methyl-3-phenylpyrazolo[4,3-c]quinoline?
The InChIKey is PTVOFKHLJYWAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16FN3/c1-15-7-12-19-21(13-15)25-14-20-22(16-5-3-2-4-6-16)26-27(23(19)20)18-10-8-17(24)9-11-18/h2-14H,1H3.
What are the key properties of 1-(4-fluorophenyl)-7-methyl-3-phenylpyrazolo[4,3-c]quinoline?
1-(4-fluorophenyl)-7-methyl-3-phenylpyrazolo[4,3-c]quinoline has a molecular weight of 353.40 g/mol, XLogP of 5.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-7-methyl-3-phenylpyrazolo[4,3-c]quinoline is sourced from PubChem (CID 20852445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).