2-(5-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-phenoxazin-10-ylethanone

C23H20N2O3 — CID 69450509

IUPAC2-(5-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-phenoxazin-10-ylethanone
SMILESO=C(CN1CCc2c(O)cccc2C1)N1c2ccccc2Oc2ccccc21
InChIInChI=1S/C23H20N2O3/c26-20-9-5-6-16-14-24(13-12-17(16)20)15-23(27)25-18-7-1-3-10-21(18)28-22-11-4-2-8-19(22)25/h1-11,26H,12-15H2
InChIKeySENZOKBXMMMDGN-UHFFFAOYSA-N
MW372.42 g/mol
LogP4.22
Rot. Bonds2

About 2-(5-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-phenoxazin-10-ylethanone

2-(5-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-phenoxazin-10-ylethanone (PubChem CID 69450509) has the molecular formula C23H20N2O3 and a molecular weight of 372.42 g/mol. Its IUPAC name is 2-(5-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-phenoxazin-10-ylethanone.

Molecular Properties

Compound Name2-(5-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-phenoxazin-10-ylethanone
PubChem CID69450509
Molecular FormulaC23H20N2O3
Molecular Weight372.42 g/mol
Exact Mass372.15
IUPAC Name2-(5-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-phenoxazin-10-ylethanone
SMILESO=C(CN1CCc2c(O)cccc2C1)N1c2ccccc2Oc2ccccc21
InChIInChI=1S/C23H20N2O3/c26-20-9-5-6-16-14-24(13-12-17(16)20)15-23(27)25-18-7-1-3-10-21(18)28-22-11-4-2-8-19(22)25/h1-11,26H,12-15H2
InChIKeySENZOKBXMMMDGN-UHFFFAOYSA-N
XLogP4.22
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-phenoxazin-10-ylethanone?
The IUPAC name of 2-(5-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-phenoxazin-10-ylethanone (CID 69450509) is 2-(5-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-phenoxazin-10-ylethanone.
What is the SMILES notation for 2-(5-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-phenoxazin-10-ylethanone?
The canonical SMILES for 2-(5-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-phenoxazin-10-ylethanone is O=C(CN1CCc2c(O)cccc2C1)N1c2ccccc2Oc2ccccc21.
What is the InChIKey of 2-(5-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-phenoxazin-10-ylethanone?
The InChIKey is SENZOKBXMMMDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3/c26-20-9-5-6-16-14-24(13-12-17(16)20)15-23(27)25-18-7-1-3-10-21(18)28-22-11-4-2-8-19(22)25/h1-11,26H,12-15H2.
What are the key properties of 2-(5-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-phenoxazin-10-ylethanone?
2-(5-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-phenoxazin-10-ylethanone has a molecular weight of 372.42 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-phenoxazin-10-ylethanone is sourced from PubChem (CID 69450509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).