1-(3,4-dimethylphenyl)-7-fluoro-3-phenylpyrazolo[4,3-c]quinoline

C24H18FN3 — CID 20852528

IUPAC1-(3,4-dimethylphenyl)-7-fluoro-3-phenylpyrazolo[4,3-c]quinoline
SMILESCc1ccc(-n2nc(-c3ccccc3)c3cnc4cc(F)ccc4c32)cc1C
InChIInChI=1S/C24H18FN3/c1-15-8-10-19(12-16(15)2)28-24-20-11-9-18(25)13-22(20)26-14-21(24)23(27-28)17-6-4-3-5-7-17/h3-14H,1-2H3
InChIKeyIGKCGALWQIQZJC-UHFFFAOYSA-N
MW367.43 g/mol
LogP6.00
Rot. Bonds2

About 1-(3,4-dimethylphenyl)-7-fluoro-3-phenylpyrazolo[4,3-c]quinoline

1-(3,4-dimethylphenyl)-7-fluoro-3-phenylpyrazolo[4,3-c]quinoline (PubChem CID 20852528) has the molecular formula C24H18FN3 and a molecular weight of 367.43 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-7-fluoro-3-phenylpyrazolo[4,3-c]quinoline.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-7-fluoro-3-phenylpyrazolo[4,3-c]quinoline
PubChem CID20852528
Molecular FormulaC24H18FN3
Molecular Weight367.43 g/mol
Exact Mass367.15
IUPAC Name1-(3,4-dimethylphenyl)-7-fluoro-3-phenylpyrazolo[4,3-c]quinoline
SMILESCc1ccc(-n2nc(-c3ccccc3)c3cnc4cc(F)ccc4c32)cc1C
InChIInChI=1S/C24H18FN3/c1-15-8-10-19(12-16(15)2)28-24-20-11-9-18(25)13-22(20)26-14-21(24)23(27-28)17-6-4-3-5-7-17/h3-14H,1-2H3
InChIKeyIGKCGALWQIQZJC-UHFFFAOYSA-N
XLogP6.00
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.43
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-7-fluoro-3-phenylpyrazolo[4,3-c]quinoline?
The IUPAC name of 1-(3,4-dimethylphenyl)-7-fluoro-3-phenylpyrazolo[4,3-c]quinoline (CID 20852528) is 1-(3,4-dimethylphenyl)-7-fluoro-3-phenylpyrazolo[4,3-c]quinoline.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-7-fluoro-3-phenylpyrazolo[4,3-c]quinoline?
The canonical SMILES for 1-(3,4-dimethylphenyl)-7-fluoro-3-phenylpyrazolo[4,3-c]quinoline is Cc1ccc(-n2nc(-c3ccccc3)c3cnc4cc(F)ccc4c32)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-7-fluoro-3-phenylpyrazolo[4,3-c]quinoline?
The InChIKey is IGKCGALWQIQZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN3/c1-15-8-10-19(12-16(15)2)28-24-20-11-9-18(25)13-22(20)26-14-21(24)23(27-28)17-6-4-3-5-7-17/h3-14H,1-2H3.
What are the key properties of 1-(3,4-dimethylphenyl)-7-fluoro-3-phenylpyrazolo[4,3-c]quinoline?
1-(3,4-dimethylphenyl)-7-fluoro-3-phenylpyrazolo[4,3-c]quinoline has a molecular weight of 367.43 g/mol, XLogP of 6.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-7-fluoro-3-phenylpyrazolo[4,3-c]quinoline is sourced from PubChem (CID 20852528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).