3-hydroxy-7-methoxy-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one

C12H12N2O3 — CID 23872051

IUPAC3-hydroxy-7-methoxy-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
SMILESCOc1ccc2nc3n(c(=O)c2c1)CCC3O
InChIInChI=1S/C12H12N2O3/c1-17-7-2-3-9-8(6-7)12(16)14-5-4-10(15)11(14)13-9/h2-3,6,10,15H,4-5H2,1H3
InChIKeyMLGIKNSFMKMAAB-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.84
Rot. Bonds1

About 3-hydroxy-7-methoxy-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one

3-hydroxy-7-methoxy-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one (PubChem CID 23872051) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 3-hydroxy-7-methoxy-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one.

Molecular Properties

Compound Name3-hydroxy-7-methoxy-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
PubChem CID23872051
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name3-hydroxy-7-methoxy-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
SMILESCOc1ccc2nc3n(c(=O)c2c1)CCC3O
InChIInChI=1S/C12H12N2O3/c1-17-7-2-3-9-8(6-7)12(16)14-5-4-10(15)11(14)13-9/h2-3,6,10,15H,4-5H2,1H3
InChIKeyMLGIKNSFMKMAAB-UHFFFAOYSA-N
XLogP0.84
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-7-methoxy-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one?
The IUPAC name of 3-hydroxy-7-methoxy-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one (CID 23872051) is 3-hydroxy-7-methoxy-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one.
What is the SMILES notation for 3-hydroxy-7-methoxy-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one?
The canonical SMILES for 3-hydroxy-7-methoxy-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one is COc1ccc2nc3n(c(=O)c2c1)CCC3O.
What is the InChIKey of 3-hydroxy-7-methoxy-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one?
The InChIKey is MLGIKNSFMKMAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-17-7-2-3-9-8(6-7)12(16)14-5-4-10(15)11(14)13-9/h2-3,6,10,15H,4-5H2,1H3.
What are the key properties of 3-hydroxy-7-methoxy-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one?
3-hydroxy-7-methoxy-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one has a molecular weight of 232.24 g/mol, XLogP of 0.84, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-7-methoxy-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one is sourced from PubChem (CID 23872051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).