7'-[(4-fluorophenyl)methyl]-9'-hydroxy-5'-methoxyspiro[cyclopropane-1,6'-pyrrolo[3,4-g]quinoline]-8'-one

C21H17FN2O3 — CID 10021665

IUPAC7'-[(4-fluorophenyl)methyl]-9'-hydroxy-5'-methoxyspiro[cyclopropane-1,6'-pyrrolo[3,4-g]quinoline]-8'-one
SMILESCOc1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C21CC1
InChIInChI=1S/C21H17FN2O3/c1-27-19-14-3-2-10-23-17(14)18(25)15-16(19)21(8-9-21)24(20(15)26)11-12-4-6-13(22)7-5-12/h2-7,10,25H,8-9,11H2,1H3
InChIKeyWFIXBTKQRNWAEU-UHFFFAOYSA-N
MW364.38 g/mol
LogP3.73
Rot. Bonds3

About 7'-[(4-fluorophenyl)methyl]-9'-hydroxy-5'-methoxyspiro[cyclopropane-1,6'-pyrrolo[3,4-g]quinoline]-8'-one

7'-[(4-fluorophenyl)methyl]-9'-hydroxy-5'-methoxyspiro[cyclopropane-1,6'-pyrrolo[3,4-g]quinoline]-8'-one (PubChem CID 10021665) has the molecular formula C21H17FN2O3 and a molecular weight of 364.38 g/mol. Its IUPAC name is 7'-[(4-fluorophenyl)methyl]-9'-hydroxy-5'-methoxyspiro[cyclopropane-1,6'-pyrrolo[3,4-g]quinoline]-8'-one.

Molecular Properties

Compound Name7'-[(4-fluorophenyl)methyl]-9'-hydroxy-5'-methoxyspiro[cyclopropane-1,6'-pyrrolo[3,4-g]quinoline]-8'-one
PubChem CID10021665
Molecular FormulaC21H17FN2O3
Molecular Weight364.38 g/mol
Exact Mass364.12
IUPAC Name7'-[(4-fluorophenyl)methyl]-9'-hydroxy-5'-methoxyspiro[cyclopropane-1,6'-pyrrolo[3,4-g]quinoline]-8'-one
SMILESCOc1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C21CC1
InChIInChI=1S/C21H17FN2O3/c1-27-19-14-3-2-10-23-17(14)18(25)15-16(19)21(8-9-21)24(20(15)26)11-12-4-6-13(22)7-5-12/h2-7,10,25H,8-9,11H2,1H3
InChIKeyWFIXBTKQRNWAEU-UHFFFAOYSA-N
XLogP3.73
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7'-[(4-fluorophenyl)methyl]-9'-hydroxy-5'-methoxyspiro[cyclopropane-1,6'-pyrrolo[3,4-g]quinoline]-8'-one?
The IUPAC name of 7'-[(4-fluorophenyl)methyl]-9'-hydroxy-5'-methoxyspiro[cyclopropane-1,6'-pyrrolo[3,4-g]quinoline]-8'-one (CID 10021665) is 7'-[(4-fluorophenyl)methyl]-9'-hydroxy-5'-methoxyspiro[cyclopropane-1,6'-pyrrolo[3,4-g]quinoline]-8'-one.
What is the SMILES notation for 7'-[(4-fluorophenyl)methyl]-9'-hydroxy-5'-methoxyspiro[cyclopropane-1,6'-pyrrolo[3,4-g]quinoline]-8'-one?
The canonical SMILES for 7'-[(4-fluorophenyl)methyl]-9'-hydroxy-5'-methoxyspiro[cyclopropane-1,6'-pyrrolo[3,4-g]quinoline]-8'-one is COc1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C21CC1.
What is the InChIKey of 7'-[(4-fluorophenyl)methyl]-9'-hydroxy-5'-methoxyspiro[cyclopropane-1,6'-pyrrolo[3,4-g]quinoline]-8'-one?
The InChIKey is WFIXBTKQRNWAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O3/c1-27-19-14-3-2-10-23-17(14)18(25)15-16(19)21(8-9-21)24(20(15)26)11-12-4-6-13(22)7-5-12/h2-7,10,25H,8-9,11H2,1H3.
What are the key properties of 7'-[(4-fluorophenyl)methyl]-9'-hydroxy-5'-methoxyspiro[cyclopropane-1,6'-pyrrolo[3,4-g]quinoline]-8'-one?
7'-[(4-fluorophenyl)methyl]-9'-hydroxy-5'-methoxyspiro[cyclopropane-1,6'-pyrrolo[3,4-g]quinoline]-8'-one has a molecular weight of 364.38 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7'-[(4-fluorophenyl)methyl]-9'-hydroxy-5'-methoxyspiro[cyclopropane-1,6'-pyrrolo[3,4-g]quinoline]-8'-one is sourced from PubChem (CID 10021665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).