4-(2-phenoxypyrimidin-5-yl)-1,3-dihydroindol-2-one

C18H13N3O2 — CID 162507639

IUPAC4-(2-phenoxypyrimidin-5-yl)-1,3-dihydroindol-2-one
SMILESO=C1Cc2c(cccc2-c2cnc(Oc3ccccc3)nc2)N1
InChIInChI=1S/C18H13N3O2/c22-17-9-15-14(7-4-8-16(15)21-17)12-10-19-18(20-11-12)23-13-5-2-1-3-6-13/h1-8,10-11H,9H2,(H,21,22)
InChIKeyPGZOUZPGDWNTHI-UHFFFAOYSA-N
MW303.32 g/mol
LogP3.43
Rot. Bonds3

About 4-(2-phenoxypyrimidin-5-yl)-1,3-dihydroindol-2-one

4-(2-phenoxypyrimidin-5-yl)-1,3-dihydroindol-2-one (PubChem CID 162507639) has the molecular formula C18H13N3O2 and a molecular weight of 303.32 g/mol. Its IUPAC name is 4-(2-phenoxypyrimidin-5-yl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name4-(2-phenoxypyrimidin-5-yl)-1,3-dihydroindol-2-one
PubChem CID162507639
Molecular FormulaC18H13N3O2
Molecular Weight303.32 g/mol
Exact Mass303.10
IUPAC Name4-(2-phenoxypyrimidin-5-yl)-1,3-dihydroindol-2-one
SMILESO=C1Cc2c(cccc2-c2cnc(Oc3ccccc3)nc2)N1
InChIInChI=1S/C18H13N3O2/c22-17-9-15-14(7-4-8-16(15)21-17)12-10-19-18(20-11-12)23-13-5-2-1-3-6-13/h1-8,10-11H,9H2,(H,21,22)
InChIKeyPGZOUZPGDWNTHI-UHFFFAOYSA-N
XLogP3.43
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(2-phenoxypyrimidin-5-yl)-1,3-dihydroindol-2-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 4-(2-phenoxypyrimidin-5-yl)-1,3-dihydroindol-2-one?
The IUPAC name of 4-(2-phenoxypyrimidin-5-yl)-1,3-dihydroindol-2-one (CID 162507639) is 4-(2-phenoxypyrimidin-5-yl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 4-(2-phenoxypyrimidin-5-yl)-1,3-dihydroindol-2-one?
The canonical SMILES for 4-(2-phenoxypyrimidin-5-yl)-1,3-dihydroindol-2-one is O=C1Cc2c(cccc2-c2cnc(Oc3ccccc3)nc2)N1.
What is the InChIKey of 4-(2-phenoxypyrimidin-5-yl)-1,3-dihydroindol-2-one?
The InChIKey is PGZOUZPGDWNTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O2/c22-17-9-15-14(7-4-8-16(15)21-17)12-10-19-18(20-11-12)23-13-5-2-1-3-6-13/h1-8,10-11H,9H2,(H,21,22).
What are the key properties of 4-(2-phenoxypyrimidin-5-yl)-1,3-dihydroindol-2-one?
4-(2-phenoxypyrimidin-5-yl)-1,3-dihydroindol-2-one has a molecular weight of 303.32 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenoxypyrimidin-5-yl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 162507639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).