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

C20H17FN2O4 — CID 11726510

IUPAC7-[(4-fluorophenyl)methyl]-9-hydroxy-5,6-dimethoxy-6H-pyrrolo[3,4-g]quinolin-8-one
SMILESCOc1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2OC
InChIInChI=1S/C20H17FN2O4/c1-26-18-13-4-3-9-22-16(13)17(24)14-15(18)20(27-2)23(19(14)25)10-11-5-7-12(21)8-6-11/h3-9,20,24H,10H2,1-2H3
InChIKeyNBHQVSARENATMP-UHFFFAOYSA-N
MW368.36 g/mol
LogP3.39
Rot. Bonds4

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

7-[(4-fluorophenyl)methyl]-9-hydroxy-5,6-dimethoxy-6H-pyrrolo[3,4-g]quinolin-8-one (PubChem CID 11726510) has the molecular formula C20H17FN2O4 and a molecular weight of 368.36 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)methyl]-9-hydroxy-5,6-dimethoxy-6H-pyrrolo[3,4-g]quinolin-8-one.

Molecular Properties

Compound Name7-[(4-fluorophenyl)methyl]-9-hydroxy-5,6-dimethoxy-6H-pyrrolo[3,4-g]quinolin-8-one
PubChem CID11726510
Molecular FormulaC20H17FN2O4
Molecular Weight368.36 g/mol
Exact Mass368.12
IUPAC Name7-[(4-fluorophenyl)methyl]-9-hydroxy-5,6-dimethoxy-6H-pyrrolo[3,4-g]quinolin-8-one
SMILESCOc1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2OC
InChIInChI=1S/C20H17FN2O4/c1-26-18-13-4-3-9-22-16(13)17(24)14-15(18)20(27-2)23(19(14)25)10-11-5-7-12(21)8-6-11/h3-9,20,24H,10H2,1-2H3
InChIKeyNBHQVSARENATMP-UHFFFAOYSA-N
XLogP3.39
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 53.39
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-5,6-dimethoxy-6H-pyrrolo[3,4-g]quinolin-8-one?
The IUPAC name of 7-[(4-fluorophenyl)methyl]-9-hydroxy-5,6-dimethoxy-6H-pyrrolo[3,4-g]quinolin-8-one (CID 11726510) is 7-[(4-fluorophenyl)methyl]-9-hydroxy-5,6-dimethoxy-6H-pyrrolo[3,4-g]quinolin-8-one.
What is the SMILES notation for 7-[(4-fluorophenyl)methyl]-9-hydroxy-5,6-dimethoxy-6H-pyrrolo[3,4-g]quinolin-8-one?
The canonical SMILES for 7-[(4-fluorophenyl)methyl]-9-hydroxy-5,6-dimethoxy-6H-pyrrolo[3,4-g]quinolin-8-one is COc1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2OC.
What is the InChIKey of 7-[(4-fluorophenyl)methyl]-9-hydroxy-5,6-dimethoxy-6H-pyrrolo[3,4-g]quinolin-8-one?
The InChIKey is NBHQVSARENATMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O4/c1-26-18-13-4-3-9-22-16(13)17(24)14-15(18)20(27-2)23(19(14)25)10-11-5-7-12(21)8-6-11/h3-9,20,24H,10H2,1-2H3.
What are the key properties of 7-[(4-fluorophenyl)methyl]-9-hydroxy-5,6-dimethoxy-6H-pyrrolo[3,4-g]quinolin-8-one?
7-[(4-fluorophenyl)methyl]-9-hydroxy-5,6-dimethoxy-6H-pyrrolo[3,4-g]quinolin-8-one has a molecular weight of 368.36 g/mol, XLogP of 3.39, 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-5,6-dimethoxy-6H-pyrrolo[3,4-g]quinolin-8-one is sourced from PubChem (CID 11726510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).