8-fluoro-5-[(4-methylphenyl)methyl]-3-phenylpyrazolo[4,3-c]quinoline

C24H18FN3 — CID 2135836

IUPAC8-fluoro-5-[(4-methylphenyl)methyl]-3-phenylpyrazolo[4,3-c]quinoline
SMILESCc1ccc(Cn2cc3c(-c4ccccc4)nnc-3c3cc(F)ccc32)cc1
InChIInChI=1S/C24H18FN3/c1-16-7-9-17(10-8-16)14-28-15-21-23(18-5-3-2-4-6-18)26-27-24(21)20-13-19(25)11-12-22(20)28/h2-13,15H,14H2,1H3
InChIKeyFPPSHJDRFZDWFS-UHFFFAOYSA-N
MW367.43 g/mol
LogP5.70
Rot. Bonds3

About 8-fluoro-5-[(4-methylphenyl)methyl]-3-phenylpyrazolo[4,3-c]quinoline

8-fluoro-5-[(4-methylphenyl)methyl]-3-phenylpyrazolo[4,3-c]quinoline (PubChem CID 2135836) has the molecular formula C24H18FN3 and a molecular weight of 367.43 g/mol. Its IUPAC name is 8-fluoro-5-[(4-methylphenyl)methyl]-3-phenylpyrazolo[4,3-c]quinoline.

Molecular Properties

Compound Name8-fluoro-5-[(4-methylphenyl)methyl]-3-phenylpyrazolo[4,3-c]quinoline
PubChem CID2135836
Molecular FormulaC24H18FN3
Molecular Weight367.43 g/mol
Exact Mass367.15
IUPAC Name8-fluoro-5-[(4-methylphenyl)methyl]-3-phenylpyrazolo[4,3-c]quinoline
SMILESCc1ccc(Cn2cc3c(-c4ccccc4)nnc-3c3cc(F)ccc32)cc1
InChIInChI=1S/C24H18FN3/c1-16-7-9-17(10-8-16)14-28-15-21-23(18-5-3-2-4-6-18)26-27-24(21)20-13-19(25)11-12-22(20)28/h2-13,15H,14H2,1H3
InChIKeyFPPSHJDRFZDWFS-UHFFFAOYSA-N
XLogP5.70
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.43
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-5-[(4-methylphenyl)methyl]-3-phenylpyrazolo[4,3-c]quinoline?
The IUPAC name of 8-fluoro-5-[(4-methylphenyl)methyl]-3-phenylpyrazolo[4,3-c]quinoline (CID 2135836) is 8-fluoro-5-[(4-methylphenyl)methyl]-3-phenylpyrazolo[4,3-c]quinoline.
What is the SMILES notation for 8-fluoro-5-[(4-methylphenyl)methyl]-3-phenylpyrazolo[4,3-c]quinoline?
The canonical SMILES for 8-fluoro-5-[(4-methylphenyl)methyl]-3-phenylpyrazolo[4,3-c]quinoline is Cc1ccc(Cn2cc3c(-c4ccccc4)nnc-3c3cc(F)ccc32)cc1.
What is the InChIKey of 8-fluoro-5-[(4-methylphenyl)methyl]-3-phenylpyrazolo[4,3-c]quinoline?
The InChIKey is FPPSHJDRFZDWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN3/c1-16-7-9-17(10-8-16)14-28-15-21-23(18-5-3-2-4-6-18)26-27-24(21)20-13-19(25)11-12-22(20)28/h2-13,15H,14H2,1H3.
What are the key properties of 8-fluoro-5-[(4-methylphenyl)methyl]-3-phenylpyrazolo[4,3-c]quinoline?
8-fluoro-5-[(4-methylphenyl)methyl]-3-phenylpyrazolo[4,3-c]quinoline has a molecular weight of 367.43 g/mol, XLogP of 5.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-5-[(4-methylphenyl)methyl]-3-phenylpyrazolo[4,3-c]quinoline is sourced from PubChem (CID 2135836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).