2-[(4-fluorophenyl)methyl]-9-phenyl-3H-pyrrolo[3,4-b]quinolin-1-one

C24H17FN2O — CID 15669484

IUPAC2-[(4-fluorophenyl)methyl]-9-phenyl-3H-pyrrolo[3,4-b]quinolin-1-one
SMILESO=C1c2c(nc3ccccc3c2-c2ccccc2)CN1Cc1ccc(F)cc1
InChIInChI=1S/C24H17FN2O/c25-18-12-10-16(11-13-18)14-27-15-21-23(24(27)28)22(17-6-2-1-3-7-17)19-8-4-5-9-20(19)26-21/h1-13H,14-15H2
InChIKeyJUFVSRLSAOUILF-UHFFFAOYSA-N
MW368.41 g/mol
LogP5.20
Rot. Bonds3

About 2-[(4-fluorophenyl)methyl]-9-phenyl-3H-pyrrolo[3,4-b]quinolin-1-one

2-[(4-fluorophenyl)methyl]-9-phenyl-3H-pyrrolo[3,4-b]quinolin-1-one (PubChem CID 15669484) has the molecular formula C24H17FN2O and a molecular weight of 368.41 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-9-phenyl-3H-pyrrolo[3,4-b]quinolin-1-one.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-9-phenyl-3H-pyrrolo[3,4-b]quinolin-1-one
PubChem CID15669484
Molecular FormulaC24H17FN2O
Molecular Weight368.41 g/mol
Exact Mass368.13
IUPAC Name2-[(4-fluorophenyl)methyl]-9-phenyl-3H-pyrrolo[3,4-b]quinolin-1-one
SMILESO=C1c2c(nc3ccccc3c2-c2ccccc2)CN1Cc1ccc(F)cc1
InChIInChI=1S/C24H17FN2O/c25-18-12-10-16(11-13-18)14-27-15-21-23(24(27)28)22(17-6-2-1-3-7-17)19-8-4-5-9-20(19)26-21/h1-13H,14-15H2
InChIKeyJUFVSRLSAOUILF-UHFFFAOYSA-N
XLogP5.20
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.41
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-9-phenyl-3H-pyrrolo[3,4-b]quinolin-1-one?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-9-phenyl-3H-pyrrolo[3,4-b]quinolin-1-one (CID 15669484) is 2-[(4-fluorophenyl)methyl]-9-phenyl-3H-pyrrolo[3,4-b]quinolin-1-one.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-9-phenyl-3H-pyrrolo[3,4-b]quinolin-1-one?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-9-phenyl-3H-pyrrolo[3,4-b]quinolin-1-one is O=C1c2c(nc3ccccc3c2-c2ccccc2)CN1Cc1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-9-phenyl-3H-pyrrolo[3,4-b]quinolin-1-one?
The InChIKey is JUFVSRLSAOUILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17FN2O/c25-18-12-10-16(11-13-18)14-27-15-21-23(24(27)28)22(17-6-2-1-3-7-17)19-8-4-5-9-20(19)26-21/h1-13H,14-15H2.
What are the key properties of 2-[(4-fluorophenyl)methyl]-9-phenyl-3H-pyrrolo[3,4-b]quinolin-1-one?
2-[(4-fluorophenyl)methyl]-9-phenyl-3H-pyrrolo[3,4-b]quinolin-1-one has a molecular weight of 368.41 g/mol, XLogP of 5.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-9-phenyl-3H-pyrrolo[3,4-b]quinolin-1-one is sourced from PubChem (CID 15669484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).