7-[(4-fluorophenyl)methyl]-9-hydroxy-5-(2-methoxy-3-pyridinyl)-6H-pyrrolo[3,4-g]quinolin-8-one

C24H18FN3O3 — CID 10024854

IUPAC7-[(4-fluorophenyl)methyl]-9-hydroxy-5-(2-methoxy-3-pyridinyl)-6H-pyrrolo[3,4-g]quinolin-8-one
SMILESCOc1ncccc1-c1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2
InChIInChI=1S/C24H18FN3O3/c1-31-23-17(5-3-11-27-23)19-16-4-2-10-26-21(16)22(29)20-18(19)13-28(24(20)30)12-14-6-8-15(25)9-7-14/h2-11,29H,12-13H2,1H3
InChIKeyWHDXISSFPYAZHB-UHFFFAOYSA-N
MW415.42 g/mol
LogP4.31
Rot. Bonds4

About 7-[(4-fluorophenyl)methyl]-9-hydroxy-5-(2-methoxy-3-pyridinyl)-6H-pyrrolo[3,4-g]quinolin-8-one

7-[(4-fluorophenyl)methyl]-9-hydroxy-5-(2-methoxy-3-pyridinyl)-6H-pyrrolo[3,4-g]quinolin-8-one (PubChem CID 10024854) has the molecular formula C24H18FN3O3 and a molecular weight of 415.42 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)methyl]-9-hydroxy-5-(2-methoxy-3-pyridinyl)-6H-pyrrolo[3,4-g]quinolin-8-one.

Molecular Properties

Compound Name7-[(4-fluorophenyl)methyl]-9-hydroxy-5-(2-methoxy-3-pyridinyl)-6H-pyrrolo[3,4-g]quinolin-8-one
PubChem CID10024854
Molecular FormulaC24H18FN3O3
Molecular Weight415.42 g/mol
Exact Mass415.13
IUPAC Name7-[(4-fluorophenyl)methyl]-9-hydroxy-5-(2-methoxy-3-pyridinyl)-6H-pyrrolo[3,4-g]quinolin-8-one
SMILESCOc1ncccc1-c1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2
InChIInChI=1S/C24H18FN3O3/c1-31-23-17(5-3-11-27-23)19-16-4-2-10-26-21(16)22(29)20-18(19)13-28(24(20)30)12-14-6-8-15(25)9-7-14/h2-11,29H,12-13H2,1H3
InChIKeyWHDXISSFPYAZHB-UHFFFAOYSA-N
XLogP4.31
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.42
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[(4-fluorophenyl)methyl]-9-hydroxy-5-(2-methoxy-3-pyridinyl)-6H-pyrrolo[3,4-g]quinolin-8-one?
The IUPAC name of 7-[(4-fluorophenyl)methyl]-9-hydroxy-5-(2-methoxy-3-pyridinyl)-6H-pyrrolo[3,4-g]quinolin-8-one (CID 10024854) is 7-[(4-fluorophenyl)methyl]-9-hydroxy-5-(2-methoxy-3-pyridinyl)-6H-pyrrolo[3,4-g]quinolin-8-one.
What is the SMILES notation for 7-[(4-fluorophenyl)methyl]-9-hydroxy-5-(2-methoxy-3-pyridinyl)-6H-pyrrolo[3,4-g]quinolin-8-one?
The canonical SMILES for 7-[(4-fluorophenyl)methyl]-9-hydroxy-5-(2-methoxy-3-pyridinyl)-6H-pyrrolo[3,4-g]quinolin-8-one is COc1ncccc1-c1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2.
What is the InChIKey of 7-[(4-fluorophenyl)methyl]-9-hydroxy-5-(2-methoxy-3-pyridinyl)-6H-pyrrolo[3,4-g]quinolin-8-one?
The InChIKey is WHDXISSFPYAZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN3O3/c1-31-23-17(5-3-11-27-23)19-16-4-2-10-26-21(16)22(29)20-18(19)13-28(24(20)30)12-14-6-8-15(25)9-7-14/h2-11,29H,12-13H2,1H3.
What are the key properties of 7-[(4-fluorophenyl)methyl]-9-hydroxy-5-(2-methoxy-3-pyridinyl)-6H-pyrrolo[3,4-g]quinolin-8-one?
7-[(4-fluorophenyl)methyl]-9-hydroxy-5-(2-methoxy-3-pyridinyl)-6H-pyrrolo[3,4-g]quinolin-8-one has a molecular weight of 415.42 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-fluorophenyl)methyl]-9-hydroxy-5-(2-methoxy-3-pyridinyl)-6H-pyrrolo[3,4-g]quinolin-8-one is sourced from PubChem (CID 10024854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).