6,8-difluoro-1-(2-methoxyphenyl)-3-phenylpyrazolo[4,3-c]quinoline

C23H15F2N3O — CID 15990618

IUPAC6,8-difluoro-1-(2-methoxyphenyl)-3-phenylpyrazolo[4,3-c]quinoline
SMILESCOc1ccccc1-n1nc(-c2ccccc2)c2cnc3c(F)cc(F)cc3c21
InChIInChI=1S/C23H15F2N3O/c1-29-20-10-6-5-9-19(20)28-23-16-11-15(24)12-18(25)22(16)26-13-17(23)21(27-28)14-7-3-2-4-8-14/h2-13H,1H3
InChIKeyZJGCRBPYMXNHOA-UHFFFAOYSA-N
MW387.39 g/mol
LogP5.53
Rot. Bonds3

About 6,8-difluoro-1-(2-methoxyphenyl)-3-phenylpyrazolo[4,3-c]quinoline

6,8-difluoro-1-(2-methoxyphenyl)-3-phenylpyrazolo[4,3-c]quinoline (PubChem CID 15990618) has the molecular formula C23H15F2N3O and a molecular weight of 387.39 g/mol. Its IUPAC name is 6,8-difluoro-1-(2-methoxyphenyl)-3-phenylpyrazolo[4,3-c]quinoline.

Molecular Properties

Compound Name6,8-difluoro-1-(2-methoxyphenyl)-3-phenylpyrazolo[4,3-c]quinoline
PubChem CID15990618
Molecular FormulaC23H15F2N3O
Molecular Weight387.39 g/mol
Exact Mass387.12
IUPAC Name6,8-difluoro-1-(2-methoxyphenyl)-3-phenylpyrazolo[4,3-c]quinoline
SMILESCOc1ccccc1-n1nc(-c2ccccc2)c2cnc3c(F)cc(F)cc3c21
InChIInChI=1S/C23H15F2N3O/c1-29-20-10-6-5-9-19(20)28-23-16-11-15(24)12-18(25)22(16)26-13-17(23)21(27-28)14-7-3-2-4-8-14/h2-13H,1H3
InChIKeyZJGCRBPYMXNHOA-UHFFFAOYSA-N
XLogP5.53
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.39
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-((4-(1-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy)methyl)quinoline
CID 11581936
2-{4-[4-Pyridin-4-YL-1-(2,2,2-trifluoro-ethyl)-1H-pyrazol-3-YL]-phenoxymethyl}-quinoline
CID 11648276
2-[4-(1-Ethyl-4-pyridin-4-yl-1H-pyrazol-3-yl)-phenoxymethyl]-quinoline
CID 11682906
Mardepodect hydrochloride
CID 122412737
4-Methoxy-2-phenyl-2H-pyrazolo[4,3-c]quinoline
CID 11196622
2-[4-(2-Ethyl-4-pyridin-4-yl-2H-pyrazol-3-yl)-phenoxymethyl]-quinoline
CID 11661426
2-[(4-(2-Methyl-4-(pyridin-4-yl)-2H-pyrazol-3-yl)phenoxy)methyl]quinoline
CID 11668304
6-Fluoro-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoline
CID 11669507
2-[[4-[1-(2-(18F)fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]quinoline
CID 46893367
2-[[4-[1-(2-Fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]quinoline
CID 57400861
3-[2-Fluoro-5-(trifluoromethyl)phenyl]-7-methoxy-1-(pyrazin-2-ylmethyl)indazole
CID 134611931
3-[[4-[2-(2-Fluoroethoxy)phenyl]piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine
CID 24823922

Frequently Asked Questions

What is the IUPAC name of 6,8-difluoro-1-(2-methoxyphenyl)-3-phenylpyrazolo[4,3-c]quinoline?
The IUPAC name of 6,8-difluoro-1-(2-methoxyphenyl)-3-phenylpyrazolo[4,3-c]quinoline (CID 15990618) is 6,8-difluoro-1-(2-methoxyphenyl)-3-phenylpyrazolo[4,3-c]quinoline.
What is the SMILES notation for 6,8-difluoro-1-(2-methoxyphenyl)-3-phenylpyrazolo[4,3-c]quinoline?
The canonical SMILES for 6,8-difluoro-1-(2-methoxyphenyl)-3-phenylpyrazolo[4,3-c]quinoline is COc1ccccc1-n1nc(-c2ccccc2)c2cnc3c(F)cc(F)cc3c21.
What is the InChIKey of 6,8-difluoro-1-(2-methoxyphenyl)-3-phenylpyrazolo[4,3-c]quinoline?
The InChIKey is ZJGCRBPYMXNHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F2N3O/c1-29-20-10-6-5-9-19(20)28-23-16-11-15(24)12-18(25)22(16)26-13-17(23)21(27-28)14-7-3-2-4-8-14/h2-13H,1H3.
What are the key properties of 6,8-difluoro-1-(2-methoxyphenyl)-3-phenylpyrazolo[4,3-c]quinoline?
6,8-difluoro-1-(2-methoxyphenyl)-3-phenylpyrazolo[4,3-c]quinoline has a molecular weight of 387.39 g/mol, XLogP of 5.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-difluoro-1-(2-methoxyphenyl)-3-phenylpyrazolo[4,3-c]quinoline is sourced from PubChem (CID 15990618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).