2-benzyl-9-phenyl-1H-pyrrolo[3,4-b]quinolin-3-one

C24H18N2O — CID 10959049

IUPAC2-benzyl-9-phenyl-1H-pyrrolo[3,4-b]quinolin-3-one
SMILESO=C1c2nc3ccccc3c(-c3ccccc3)c2CN1Cc1ccccc1
InChIInChI=1S/C24H18N2O/c27-24-23-20(16-26(24)15-17-9-3-1-4-10-17)22(18-11-5-2-6-12-18)19-13-7-8-14-21(19)25-23/h1-14H,15-16H2
InChIKeyIIOMKAGPYJPVNS-UHFFFAOYSA-N
MW350.42 g/mol
LogP5.06
Rot. Bonds3

About 2-benzyl-9-phenyl-1H-pyrrolo[3,4-b]quinolin-3-one

2-benzyl-9-phenyl-1H-pyrrolo[3,4-b]quinolin-3-one (PubChem CID 10959049) has the molecular formula C24H18N2O and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-benzyl-9-phenyl-1H-pyrrolo[3,4-b]quinolin-3-one.

Molecular Properties

Compound Name2-benzyl-9-phenyl-1H-pyrrolo[3,4-b]quinolin-3-one
PubChem CID10959049
Molecular FormulaC24H18N2O
Molecular Weight350.42 g/mol
Exact Mass350.14
IUPAC Name2-benzyl-9-phenyl-1H-pyrrolo[3,4-b]quinolin-3-one
SMILESO=C1c2nc3ccccc3c(-c3ccccc3)c2CN1Cc1ccccc1
InChIInChI=1S/C24H18N2O/c27-24-23-20(16-26(24)15-17-9-3-1-4-10-17)22(18-11-5-2-6-12-18)19-13-7-8-14-21(19)25-23/h1-14H,15-16H2
InChIKeyIIOMKAGPYJPVNS-UHFFFAOYSA-N
XLogP5.06
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.42
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-9-phenyl-1H-pyrrolo[3,4-b]quinolin-3-one?
The IUPAC name of 2-benzyl-9-phenyl-1H-pyrrolo[3,4-b]quinolin-3-one (CID 10959049) is 2-benzyl-9-phenyl-1H-pyrrolo[3,4-b]quinolin-3-one.
What is the SMILES notation for 2-benzyl-9-phenyl-1H-pyrrolo[3,4-b]quinolin-3-one?
The canonical SMILES for 2-benzyl-9-phenyl-1H-pyrrolo[3,4-b]quinolin-3-one is O=C1c2nc3ccccc3c(-c3ccccc3)c2CN1Cc1ccccc1.
What is the InChIKey of 2-benzyl-9-phenyl-1H-pyrrolo[3,4-b]quinolin-3-one?
The InChIKey is IIOMKAGPYJPVNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O/c27-24-23-20(16-26(24)15-17-9-3-1-4-10-17)22(18-11-5-2-6-12-18)19-13-7-8-14-21(19)25-23/h1-14H,15-16H2.
What are the key properties of 2-benzyl-9-phenyl-1H-pyrrolo[3,4-b]quinolin-3-one?
2-benzyl-9-phenyl-1H-pyrrolo[3,4-b]quinolin-3-one has a molecular weight of 350.42 g/mol, XLogP of 5.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-9-phenyl-1H-pyrrolo[3,4-b]quinolin-3-one is sourced from PubChem (CID 10959049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).