3-hydroxy-3-[4-(morpholin-4-ylmethyl)phenyl]-1H-indol-2-one

C19H20N2O3 — CID 90089302

IUPAC3-hydroxy-3-[4-(morpholin-4-ylmethyl)phenyl]-1H-indol-2-one
SMILESO=C1Nc2ccccc2C1(O)c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C19H20N2O3/c22-18-19(23,16-3-1-2-4-17(16)20-18)15-7-5-14(6-8-15)13-21-9-11-24-12-10-21/h1-8,23H,9-13H2,(H,20,22)
InChIKeyBKLJRQWIOWWYBP-UHFFFAOYSA-N
MW324.38 g/mol
LogP1.71
Rot. Bonds3

About 3-hydroxy-3-[4-(morpholin-4-ylmethyl)phenyl]-1H-indol-2-one

3-hydroxy-3-[4-(morpholin-4-ylmethyl)phenyl]-1H-indol-2-one (PubChem CID 90089302) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 3-hydroxy-3-[4-(morpholin-4-ylmethyl)phenyl]-1H-indol-2-one.

Molecular Properties

Compound Name3-hydroxy-3-[4-(morpholin-4-ylmethyl)phenyl]-1H-indol-2-one
PubChem CID90089302
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name3-hydroxy-3-[4-(morpholin-4-ylmethyl)phenyl]-1H-indol-2-one
SMILESO=C1Nc2ccccc2C1(O)c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C19H20N2O3/c22-18-19(23,16-3-1-2-4-17(16)20-18)15-7-5-14(6-8-15)13-21-9-11-24-12-10-21/h1-8,23H,9-13H2,(H,20,22)
InChIKeyBKLJRQWIOWWYBP-UHFFFAOYSA-N
XLogP1.71
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-[4-(morpholin-4-ylmethyl)phenyl]-1H-indol-2-one?
The IUPAC name of 3-hydroxy-3-[4-(morpholin-4-ylmethyl)phenyl]-1H-indol-2-one (CID 90089302) is 3-hydroxy-3-[4-(morpholin-4-ylmethyl)phenyl]-1H-indol-2-one.
What is the SMILES notation for 3-hydroxy-3-[4-(morpholin-4-ylmethyl)phenyl]-1H-indol-2-one?
The canonical SMILES for 3-hydroxy-3-[4-(morpholin-4-ylmethyl)phenyl]-1H-indol-2-one is O=C1Nc2ccccc2C1(O)c1ccc(CN2CCOCC2)cc1.
What is the InChIKey of 3-hydroxy-3-[4-(morpholin-4-ylmethyl)phenyl]-1H-indol-2-one?
The InChIKey is BKLJRQWIOWWYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c22-18-19(23,16-3-1-2-4-17(16)20-18)15-7-5-14(6-8-15)13-21-9-11-24-12-10-21/h1-8,23H,9-13H2,(H,20,22).
What are the key properties of 3-hydroxy-3-[4-(morpholin-4-ylmethyl)phenyl]-1H-indol-2-one?
3-hydroxy-3-[4-(morpholin-4-ylmethyl)phenyl]-1H-indol-2-one has a molecular weight of 324.38 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-[4-(morpholin-4-ylmethyl)phenyl]-1H-indol-2-one is sourced from PubChem (CID 90089302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).