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

C18H14N2O — CID 72710503

IUPAC9-methyl-2-phenyl-3H-pyrrolo[3,4-b]quinolin-1-one
SMILESCc1c2c(nc3ccccc13)CN(c1ccccc1)C2=O
InChIInChI=1S/C18H14N2O/c1-12-14-9-5-6-10-15(14)19-16-11-20(18(21)17(12)16)13-7-3-2-4-8-13/h2-10H,11H2,1H3
InChIKeyZLDLKQAOZDJVMV-UHFFFAOYSA-N
MW274.32 g/mol
LogP3.70
Rot. Bonds1

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

9-methyl-2-phenyl-3H-pyrrolo[3,4-b]quinolin-1-one (PubChem CID 72710503) has the molecular formula C18H14N2O and a molecular weight of 274.32 g/mol. Its IUPAC name is 9-methyl-2-phenyl-3H-pyrrolo[3,4-b]quinolin-1-one.

Molecular Properties

Compound Name9-methyl-2-phenyl-3H-pyrrolo[3,4-b]quinolin-1-one
PubChem CID72710503
Molecular FormulaC18H14N2O
Molecular Weight274.32 g/mol
Exact Mass274.11
IUPAC Name9-methyl-2-phenyl-3H-pyrrolo[3,4-b]quinolin-1-one
SMILESCc1c2c(nc3ccccc13)CN(c1ccccc1)C2=O
InChIInChI=1S/C18H14N2O/c1-12-14-9-5-6-10-15(14)19-16-11-20(18(21)17(12)16)13-7-3-2-4-8-13/h2-10H,11H2,1H3
InChIKeyZLDLKQAOZDJVMV-UHFFFAOYSA-N
XLogP3.70
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-2-phenyl-3H-pyrrolo[3,4-b]quinolin-1-one?
The IUPAC name of 9-methyl-2-phenyl-3H-pyrrolo[3,4-b]quinolin-1-one (CID 72710503) is 9-methyl-2-phenyl-3H-pyrrolo[3,4-b]quinolin-1-one.
What is the SMILES notation for 9-methyl-2-phenyl-3H-pyrrolo[3,4-b]quinolin-1-one?
The canonical SMILES for 9-methyl-2-phenyl-3H-pyrrolo[3,4-b]quinolin-1-one is Cc1c2c(nc3ccccc13)CN(c1ccccc1)C2=O.
What is the InChIKey of 9-methyl-2-phenyl-3H-pyrrolo[3,4-b]quinolin-1-one?
The InChIKey is ZLDLKQAOZDJVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O/c1-12-14-9-5-6-10-15(14)19-16-11-20(18(21)17(12)16)13-7-3-2-4-8-13/h2-10H,11H2,1H3.
What are the key properties of 9-methyl-2-phenyl-3H-pyrrolo[3,4-b]quinolin-1-one?
9-methyl-2-phenyl-3H-pyrrolo[3,4-b]quinolin-1-one has a molecular weight of 274.32 g/mol, XLogP of 3.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-2-phenyl-3H-pyrrolo[3,4-b]quinolin-1-one is sourced from PubChem (CID 72710503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).