5-fluoro-3'-methylspiro[1H-indole-3,4'-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinoline]-2,5'-dione

C18H15FN4O2 — CID 137275889

IUPAC5-fluoro-3'-methylspiro[1H-indole-3,4'-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinoline]-2,5'-dione
SMILESCc1[nH]nc2c1C1(C(=O)Nc3ccc(F)cc31)C1=C(CCCC1=O)N2
InChIInChI=1S/C18H15FN4O2/c1-8-14-16(23-22-8)20-12-3-2-4-13(24)15(12)18(14)10-7-9(19)5-6-11(10)21-17(18)25/h5-7H,2-4H2,1H3,(H,21,25)(H2,20,22,23)
InChIKeyWUFWIMYIXGWZHC-UHFFFAOYSA-N
MW338.34 g/mol
LogP2.53
Rot. Bonds

About 5-fluoro-3'-methylspiro[1H-indole-3,4'-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinoline]-2,5'-dione

5-fluoro-3'-methylspiro[1H-indole-3,4'-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinoline]-2,5'-dione (PubChem CID 137275889) has the molecular formula C18H15FN4O2 and a molecular weight of 338.34 g/mol. Its IUPAC name is 5-fluoro-3'-methylspiro[1H-indole-3,4'-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinoline]-2,5'-dione.

Molecular Properties

Compound Name5-fluoro-3'-methylspiro[1H-indole-3,4'-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinoline]-2,5'-dione
PubChem CID137275889
Molecular FormulaC18H15FN4O2
Molecular Weight338.34 g/mol
Exact Mass338.12
IUPAC Name5-fluoro-3'-methylspiro[1H-indole-3,4'-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinoline]-2,5'-dione
SMILESCc1[nH]nc2c1C1(C(=O)Nc3ccc(F)cc31)C1=C(CCCC1=O)N2
InChIInChI=1S/C18H15FN4O2/c1-8-14-16(23-22-8)20-12-3-2-4-13(24)15(12)18(14)10-7-9(19)5-6-11(10)21-17(18)25/h5-7H,2-4H2,1H3,(H,21,25)(H2,20,22,23)
InChIKeyWUFWIMYIXGWZHC-UHFFFAOYSA-N
XLogP2.53
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3'-methylspiro[1H-indole-3,4'-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinoline]-2,5'-dione?
The IUPAC name of 5-fluoro-3'-methylspiro[1H-indole-3,4'-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinoline]-2,5'-dione (CID 137275889) is 5-fluoro-3'-methylspiro[1H-indole-3,4'-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinoline]-2,5'-dione.
What is the SMILES notation for 5-fluoro-3'-methylspiro[1H-indole-3,4'-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinoline]-2,5'-dione?
The canonical SMILES for 5-fluoro-3'-methylspiro[1H-indole-3,4'-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinoline]-2,5'-dione is Cc1[nH]nc2c1C1(C(=O)Nc3ccc(F)cc31)C1=C(CCCC1=O)N2.
What is the InChIKey of 5-fluoro-3'-methylspiro[1H-indole-3,4'-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinoline]-2,5'-dione?
The InChIKey is WUFWIMYIXGWZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O2/c1-8-14-16(23-22-8)20-12-3-2-4-13(24)15(12)18(14)10-7-9(19)5-6-11(10)21-17(18)25/h5-7H,2-4H2,1H3,(H,21,25)(H2,20,22,23).
What are the key properties of 5-fluoro-3'-methylspiro[1H-indole-3,4'-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinoline]-2,5'-dione?
5-fluoro-3'-methylspiro[1H-indole-3,4'-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinoline]-2,5'-dione has a molecular weight of 338.34 g/mol, XLogP of 2.53, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3'-methylspiro[1H-indole-3,4'-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinoline]-2,5'-dione is sourced from PubChem (CID 137275889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).