3-(2,3-dihydro-1-benzofuran-5-yl)-2-pyrimidin-2-yl-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one

C23H18N4O2 — CID 10992580

IUPAC3-(2,3-dihydro-1-benzofuran-5-yl)-2-pyrimidin-2-yl-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one
SMILESO=c1c2c([nH]c3ccccc13)C(c1ccc3c(c1)CCO3)N(c1ncccn1)C2
InChIInChI=1S/C23H18N4O2/c28-22-16-4-1-2-5-18(16)26-20-17(22)13-27(23-24-9-3-10-25-23)21(20)15-6-7-19-14(12-15)8-11-29-19/h1-7,9-10,12,21H,8,11,13H2,(H,26,28)
InChIKeyDTTHOWQLCVTQCM-UHFFFAOYSA-N
MW382.42 g/mol
LogP3.36
Rot. Bonds2

About 3-(2,3-dihydro-1-benzofuran-5-yl)-2-pyrimidin-2-yl-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one

3-(2,3-dihydro-1-benzofuran-5-yl)-2-pyrimidin-2-yl-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one (PubChem CID 10992580) has the molecular formula C23H18N4O2 and a molecular weight of 382.42 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzofuran-5-yl)-2-pyrimidin-2-yl-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzofuran-5-yl)-2-pyrimidin-2-yl-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one
PubChem CID10992580
Molecular FormulaC23H18N4O2
Molecular Weight382.42 g/mol
Exact Mass382.14
IUPAC Name3-(2,3-dihydro-1-benzofuran-5-yl)-2-pyrimidin-2-yl-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one
SMILESO=c1c2c([nH]c3ccccc13)C(c1ccc3c(c1)CCO3)N(c1ncccn1)C2
InChIInChI=1S/C23H18N4O2/c28-22-16-4-1-2-5-18(16)26-20-17(22)13-27(23-24-9-3-10-25-23)21(20)15-6-7-19-14(12-15)8-11-29-19/h1-7,9-10,12,21H,8,11,13H2,(H,26,28)
InChIKeyDTTHOWQLCVTQCM-UHFFFAOYSA-N
XLogP3.36
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(2,3-dihydro-1-benzofuran-5-yl)-2-pyrimidin-2-yl-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)-2-pyrimidin-2-yl-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one?
The IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)-2-pyrimidin-2-yl-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one (CID 10992580) is 3-(2,3-dihydro-1-benzofuran-5-yl)-2-pyrimidin-2-yl-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one.
What is the SMILES notation for 3-(2,3-dihydro-1-benzofuran-5-yl)-2-pyrimidin-2-yl-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one?
The canonical SMILES for 3-(2,3-dihydro-1-benzofuran-5-yl)-2-pyrimidin-2-yl-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one is O=c1c2c([nH]c3ccccc13)C(c1ccc3c(c1)CCO3)N(c1ncccn1)C2.
What is the InChIKey of 3-(2,3-dihydro-1-benzofuran-5-yl)-2-pyrimidin-2-yl-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one?
The InChIKey is DTTHOWQLCVTQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O2/c28-22-16-4-1-2-5-18(16)26-20-17(22)13-27(23-24-9-3-10-25-23)21(20)15-6-7-19-14(12-15)8-11-29-19/h1-7,9-10,12,21H,8,11,13H2,(H,26,28).
What are the key properties of 3-(2,3-dihydro-1-benzofuran-5-yl)-2-pyrimidin-2-yl-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one?
3-(2,3-dihydro-1-benzofuran-5-yl)-2-pyrimidin-2-yl-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one has a molecular weight of 382.42 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzofuran-5-yl)-2-pyrimidin-2-yl-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one is sourced from PubChem (CID 10992580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).