3-(4-fluorophenyl)-5-[(2-methoxyphenyl)methyl]pyrazolo[4,3-c]quinoline

C24H18FN3O — CID 2135358

IUPAC3-(4-fluorophenyl)-5-[(2-methoxyphenyl)methyl]pyrazolo[4,3-c]quinoline
SMILESCOc1ccccc1Cn1cc2c(-c3ccc(F)cc3)nnc-2c2ccccc21
InChIInChI=1S/C24H18FN3O/c1-29-22-9-5-2-6-17(22)14-28-15-20-23(16-10-12-18(25)13-11-16)26-27-24(20)19-7-3-4-8-21(19)28/h2-13,15H,14H2,1H3
InChIKeyCUQXLQWLBQMRTC-UHFFFAOYSA-N
MW383.43 g/mol
LogP5.40
Rot. Bonds4

About 3-(4-fluorophenyl)-5-[(2-methoxyphenyl)methyl]pyrazolo[4,3-c]quinoline

3-(4-fluorophenyl)-5-[(2-methoxyphenyl)methyl]pyrazolo[4,3-c]quinoline (PubChem CID 2135358) has the molecular formula C24H18FN3O and a molecular weight of 383.43 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-[(2-methoxyphenyl)methyl]pyrazolo[4,3-c]quinoline.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-[(2-methoxyphenyl)methyl]pyrazolo[4,3-c]quinoline
PubChem CID2135358
Molecular FormulaC24H18FN3O
Molecular Weight383.43 g/mol
Exact Mass383.14
IUPAC Name3-(4-fluorophenyl)-5-[(2-methoxyphenyl)methyl]pyrazolo[4,3-c]quinoline
SMILESCOc1ccccc1Cn1cc2c(-c3ccc(F)cc3)nnc-2c2ccccc21
InChIInChI=1S/C24H18FN3O/c1-29-22-9-5-2-6-17(22)14-28-15-20-23(16-10-12-18(25)13-11-16)26-27-24(20)19-7-3-4-8-21(19)28/h2-13,15H,14H2,1H3
InChIKeyCUQXLQWLBQMRTC-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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Related Compounds

3-(4-fluorophenyl)-5-[(4-fluorophenyl)methyl]pyrazolo[4,3-c]quinoline
CID 2135351
3-(4-fluorophenyl)-5-[(4-methylphenyl)methyl]pyrazolo[4,3-c]quinoline
CID 2135349
8-ethoxy-3-(4-methoxyphenyl)-5-[(2-methoxyphenyl)methyl]pyrazolo[4,3-c]quinoline
CID 20868761
3-(4-ethoxyphenyl)-5-[(2-fluorophenyl)methyl]pyrazolo[4,3-c]quinoline
CID 20868724
8-fluoro-3-(4-fluorophenyl)-5-[(2-fluorophenyl)methyl]pyrazolo[4,3-c]quinoline
CID 2135550
5-(4-ethylphenyl)-8-[(2-methoxyphenyl)methyl]-12,14-dioxa-3,4,8-triazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),2,4,6,9,11(15)-hexaene
CID 2136923
8-ethoxy-5-[(2-fluorophenyl)methyl]-3-(4-methoxyphenyl)pyrazolo[4,3-c]quinoline
CID 2137325
4-[[3-(4-fluorophenyl)-7,8-dimethoxypyrazolo[4,3-c]quinolin-5-yl]methyl]-N,N-dimethylaniline
CID 53245599
3-(4-fluorophenyl)-5-[(4-methoxyphenyl)methyl]-8-methylpyrazolo[4,3-c]quinoline
CID 2135563
3-(4-chlorophenyl)-5-[(3-methoxyphenyl)methyl]pyrazolo[4,3-c]quinoline
CID 2137227
8-fluoro-5-[(3-methoxyphenyl)methyl]-3-phenylpyrazolo[4,3-c]quinoline
CID 2135990
8-fluoro-5-[(4-methylphenyl)methyl]-3-phenylpyrazolo[4,3-c]quinoline
CID 2135836

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-[(2-methoxyphenyl)methyl]pyrazolo[4,3-c]quinoline?
The IUPAC name of 3-(4-fluorophenyl)-5-[(2-methoxyphenyl)methyl]pyrazolo[4,3-c]quinoline (CID 2135358) is 3-(4-fluorophenyl)-5-[(2-methoxyphenyl)methyl]pyrazolo[4,3-c]quinoline.
What is the SMILES notation for 3-(4-fluorophenyl)-5-[(2-methoxyphenyl)methyl]pyrazolo[4,3-c]quinoline?
The canonical SMILES for 3-(4-fluorophenyl)-5-[(2-methoxyphenyl)methyl]pyrazolo[4,3-c]quinoline is COc1ccccc1Cn1cc2c(-c3ccc(F)cc3)nnc-2c2ccccc21.
What is the InChIKey of 3-(4-fluorophenyl)-5-[(2-methoxyphenyl)methyl]pyrazolo[4,3-c]quinoline?
The InChIKey is CUQXLQWLBQMRTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN3O/c1-29-22-9-5-2-6-17(22)14-28-15-20-23(16-10-12-18(25)13-11-16)26-27-24(20)19-7-3-4-8-21(19)28/h2-13,15H,14H2,1H3.
What are the key properties of 3-(4-fluorophenyl)-5-[(2-methoxyphenyl)methyl]pyrazolo[4,3-c]quinoline?
3-(4-fluorophenyl)-5-[(2-methoxyphenyl)methyl]pyrazolo[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 3-(4-fluorophenyl)-5-[(2-methoxyphenyl)methyl]pyrazolo[4,3-c]quinoline is sourced from PubChem (CID 2135358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).