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

C24H18FN3O — CID 2135990

IUPAC8-fluoro-5-[(3-methoxyphenyl)methyl]-3-phenylpyrazolo[4,3-c]quinoline
SMILESCOc1cccc(Cn2cc3c(-c4ccccc4)nnc-3c3cc(F)ccc32)c1
InChIInChI=1S/C24H18FN3O/c1-29-19-9-5-6-16(12-19)14-28-15-21-23(17-7-3-2-4-8-17)26-27-24(21)20-13-18(25)10-11-22(20)28/h2-13,15H,14H2,1H3
InChIKeyOXFYBORHTNZGCD-UHFFFAOYSA-N
MW383.43 g/mol
LogP5.40
Rot. Bonds4

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

8-fluoro-5-[(3-methoxyphenyl)methyl]-3-phenylpyrazolo[4,3-c]quinoline (PubChem CID 2135990) has the molecular formula C24H18FN3O and a molecular weight of 383.43 g/mol. Its IUPAC name is 8-fluoro-5-[(3-methoxyphenyl)methyl]-3-phenylpyrazolo[4,3-c]quinoline.

Molecular Properties

Compound Name8-fluoro-5-[(3-methoxyphenyl)methyl]-3-phenylpyrazolo[4,3-c]quinoline
PubChem CID2135990
Molecular FormulaC24H18FN3O
Molecular Weight383.43 g/mol
Exact Mass383.14
IUPAC Name8-fluoro-5-[(3-methoxyphenyl)methyl]-3-phenylpyrazolo[4,3-c]quinoline
SMILESCOc1cccc(Cn2cc3c(-c4ccccc4)nnc-3c3cc(F)ccc32)c1
InChIInChI=1S/C24H18FN3O/c1-29-19-9-5-6-16(12-19)14-28-15-21-23(17-7-3-2-4-8-17)26-27-24(21)20-13-18(25)10-11-22(20)28/h2-13,15H,14H2,1H3
InChIKeyOXFYBORHTNZGCD-UHFFFAOYSA-N
XLogP5.40
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.43
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-5-[(3-methoxyphenyl)methyl]-3-phenylpyrazolo[4,3-c]quinoline?
The IUPAC name of 8-fluoro-5-[(3-methoxyphenyl)methyl]-3-phenylpyrazolo[4,3-c]quinoline (CID 2135990) is 8-fluoro-5-[(3-methoxyphenyl)methyl]-3-phenylpyrazolo[4,3-c]quinoline.
What is the SMILES notation for 8-fluoro-5-[(3-methoxyphenyl)methyl]-3-phenylpyrazolo[4,3-c]quinoline?
The canonical SMILES for 8-fluoro-5-[(3-methoxyphenyl)methyl]-3-phenylpyrazolo[4,3-c]quinoline is COc1cccc(Cn2cc3c(-c4ccccc4)nnc-3c3cc(F)ccc32)c1.
What is the InChIKey of 8-fluoro-5-[(3-methoxyphenyl)methyl]-3-phenylpyrazolo[4,3-c]quinoline?
The InChIKey is OXFYBORHTNZGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN3O/c1-29-19-9-5-6-16(12-19)14-28-15-21-23(17-7-3-2-4-8-17)26-27-24(21)20-13-18(25)10-11-22(20)28/h2-13,15H,14H2,1H3.
What are the key properties of 8-fluoro-5-[(3-methoxyphenyl)methyl]-3-phenylpyrazolo[4,3-c]quinoline?
8-fluoro-5-[(3-methoxyphenyl)methyl]-3-phenylpyrazolo[4,3-c]quinoline has a molecular weight of 383.43 g/mol, XLogP of 5.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-5-[(3-methoxyphenyl)methyl]-3-phenylpyrazolo[4,3-c]quinoline is sourced from PubChem (CID 2135990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).