9-(4-fluorophenyl)-7-pyridin-4-yl-1,2-dihydropyrazolo[3,4-b]quinoline-3,4-dione

C21H13FN4O2 — CID 10067863

IUPAC9-(4-fluorophenyl)-7-pyridin-4-yl-1,2-dihydropyrazolo[3,4-b]quinoline-3,4-dione
SMILESO=c1[nH][nH]c2c1c(=O)c1ccc(-c3ccncc3)cc1n2-c1ccc(F)cc1
InChIInChI=1S/C21H13FN4O2/c22-14-2-4-15(5-3-14)26-17-11-13(12-7-9-23-10-8-12)1-6-16(17)19(27)18-20(26)24-25-21(18)28/h1-11H,(H2,24,25,28)
InChIKeyMWWZLBIBZMUGSG-UHFFFAOYSA-N
MW372.36 g/mol
LogP3.36
Rot. Bonds2

About 9-(4-fluorophenyl)-7-pyridin-4-yl-1,2-dihydropyrazolo[3,4-b]quinoline-3,4-dione

9-(4-fluorophenyl)-7-pyridin-4-yl-1,2-dihydropyrazolo[3,4-b]quinoline-3,4-dione (PubChem CID 10067863) has the molecular formula C21H13FN4O2 and a molecular weight of 372.36 g/mol. Its IUPAC name is 9-(4-fluorophenyl)-7-pyridin-4-yl-1,2-dihydropyrazolo[3,4-b]quinoline-3,4-dione.

Molecular Properties

Compound Name9-(4-fluorophenyl)-7-pyridin-4-yl-1,2-dihydropyrazolo[3,4-b]quinoline-3,4-dione
PubChem CID10067863
Molecular FormulaC21H13FN4O2
Molecular Weight372.36 g/mol
Exact Mass372.10
IUPAC Name9-(4-fluorophenyl)-7-pyridin-4-yl-1,2-dihydropyrazolo[3,4-b]quinoline-3,4-dione
SMILESO=c1[nH][nH]c2c1c(=O)c1ccc(-c3ccncc3)cc1n2-c1ccc(F)cc1
InChIInChI=1S/C21H13FN4O2/c22-14-2-4-15(5-3-14)26-17-11-13(12-7-9-23-10-8-12)1-6-16(17)19(27)18-20(26)24-25-21(18)28/h1-11H,(H2,24,25,28)
InChIKeyMWWZLBIBZMUGSG-UHFFFAOYSA-N
XLogP3.36
TPSA83.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.36
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)-3-nitro-7-pyridin-4-ylquinolin-4-one
CID 139685137
1-(4-fluorophenyl)-4-oxo-7-pyridin-4-ylquinoline-3-carboxamide;methanesulfonic acid;hydrate
CID 88616639
3-fluoro-10-(4-phenylphenyl)acridin-9-one
CID 176670421
3-[9-(4-phenylphenyl)carbazol-2-yl]-9-(4-pyridin-4-ylphenyl)carbazole
CID 164797248
9-[4-[4-[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]phenyl]-3,6-bis(4-fluorophenyl)carbazole
CID 23534185
9-[4-[4-[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]phenyl]-3,6-bis(4-fluorophenyl)carbazole;ethane
CID 142805188
3-bromo-1-ethyl-7-pyridin-4-ylcinnolin-4-one
CID 15091340
5-(4-fluorophenyl)-2-methyl-4-pyridin-4-yl-1,2,4-triazol-3-one
CID 95849232
1-(4-fluorophenyl)-7-pyridin-4-yl-2,3-dihydroquinolin-4-one
CID 168800789
3,6-difluoro-10-phenylacridin-9-one
CID 156785373
4-(7,9-diphenylcarbazol-3-yl)-N-(4-fluorophenyl)-N-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]aniline;N-[4-(7,9-diphenylcarbazol-3-yl)phenyl]-N,4-bis(4-fluorophenyl)aniline;N-[4-(7,9-diphenylcarbazol-3-yl)phenyl]-N-[4-(4-fluorophenyl)phenyl]-4-phenylaniline;N-[4-(7,9-diphenylcarbazol-3-yl)phenyl]-N-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]-4-phenylaniline
CID 162181990
4-(7,9-diphenylcarbazol-3-yl)-N-(4-fluorophenyl)-N-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]aniline
CID 90193946

Frequently Asked Questions

What is the IUPAC name of 9-(4-fluorophenyl)-7-pyridin-4-yl-1,2-dihydropyrazolo[3,4-b]quinoline-3,4-dione?
The IUPAC name of 9-(4-fluorophenyl)-7-pyridin-4-yl-1,2-dihydropyrazolo[3,4-b]quinoline-3,4-dione (CID 10067863) is 9-(4-fluorophenyl)-7-pyridin-4-yl-1,2-dihydropyrazolo[3,4-b]quinoline-3,4-dione.
What is the SMILES notation for 9-(4-fluorophenyl)-7-pyridin-4-yl-1,2-dihydropyrazolo[3,4-b]quinoline-3,4-dione?
The canonical SMILES for 9-(4-fluorophenyl)-7-pyridin-4-yl-1,2-dihydropyrazolo[3,4-b]quinoline-3,4-dione is O=c1[nH][nH]c2c1c(=O)c1ccc(-c3ccncc3)cc1n2-c1ccc(F)cc1.
What is the InChIKey of 9-(4-fluorophenyl)-7-pyridin-4-yl-1,2-dihydropyrazolo[3,4-b]quinoline-3,4-dione?
The InChIKey is MWWZLBIBZMUGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13FN4O2/c22-14-2-4-15(5-3-14)26-17-11-13(12-7-9-23-10-8-12)1-6-16(17)19(27)18-20(26)24-25-21(18)28/h1-11H,(H2,24,25,28).
What are the key properties of 9-(4-fluorophenyl)-7-pyridin-4-yl-1,2-dihydropyrazolo[3,4-b]quinoline-3,4-dione?
9-(4-fluorophenyl)-7-pyridin-4-yl-1,2-dihydropyrazolo[3,4-b]quinoline-3,4-dione has a molecular weight of 372.36 g/mol, XLogP of 3.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-fluorophenyl)-7-pyridin-4-yl-1,2-dihydropyrazolo[3,4-b]quinoline-3,4-dione is sourced from PubChem (CID 10067863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).