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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Related Compounds

N-[2-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl]-3,4-dihydro-1H-isoquinolin-5-yl]acetamide
CID 166232149
2-(8-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-(3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone
CID 69448868
2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(5-oxophenothiazin-10-yl)ethanone
CID 66492591
1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-morpholin-4-ylethanone
CID 777342
2-(5-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 110456723
2-[(2-hydroxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline-5-carboxylic acid
CID 104559625
1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-(4-methylpiperazin-4-ium-1-yl)ethanone chloride
CID 44658121
1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 166232154
2-(5-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-N-methylacetamide
CID 110457090
2-(5-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-N-methylacetamide
CID 110456763
5-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboximidamide
CID 15720676
2-[25-(carboxymethyl)-9-oxa-1,17,20,25-tetrazatetracyclo[15.5.5.03,8.010,15]heptacosa-3,5,7,10,12,14-hexaen-20-yl]acetic acid
CID 139139450

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).