4-(2-morpholin-4-ylphenyl)-2H-isoquinolin-1-one

C19H18N2O2 — CID 141310888

IUPAC4-(2-morpholin-4-ylphenyl)-2H-isoquinolin-1-one
SMILESO=c1[nH]cc(-c2ccccc2N2CCOCC2)c2ccccc12
InChIInChI=1S/C19H18N2O2/c22-19-16-7-2-1-5-14(16)17(13-20-19)15-6-3-4-8-18(15)21-9-11-23-12-10-21/h1-8,13H,9-12H2,(H,20,22)
InChIKeyAANSAGITNRFNKJ-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.03
Rot. Bonds2

About 4-(2-morpholin-4-ylphenyl)-2H-isoquinolin-1-one

4-(2-morpholin-4-ylphenyl)-2H-isoquinolin-1-one (PubChem CID 141310888) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 4-(2-morpholin-4-ylphenyl)-2H-isoquinolin-1-one.

Molecular Properties

Compound Name4-(2-morpholin-4-ylphenyl)-2H-isoquinolin-1-one
PubChem CID141310888
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name4-(2-morpholin-4-ylphenyl)-2H-isoquinolin-1-one
SMILESO=c1[nH]cc(-c2ccccc2N2CCOCC2)c2ccccc12
InChIInChI=1S/C19H18N2O2/c22-19-16-7-2-1-5-14(16)17(13-20-19)15-6-3-4-8-18(15)21-9-11-23-12-10-21/h1-8,13H,9-12H2,(H,20,22)
InChIKeyAANSAGITNRFNKJ-UHFFFAOYSA-N
XLogP3.03
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(2-methylphenyl)phenyl]morpholine
CID 173334171
2-(2-morpholin-4-ylphenyl)isoindole-1,3-dione
CID 2813240
N-[(5-chloro-2-morpholin-4-ylphenyl)methyl]-1-oxo-2H-isoquinoline-4-carboxamide
CID 136540076
3-morpholin-4-ylpyran-2-one
CID 159182014
N-[1-methyl-4-(1-oxo-2H-isoquinolin-4-yl)cyclohexa-2,4-dien-1-yl]-4-morpholin-4-ylbenzamide
CID 163574840
2-bromo-7-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)cyclohepta-2,4,6-trien-1-one
CID 15763135
2-(1,3-dioxoisoindol-2-yl)-6-morpholin-4-ylbenzo[de]isoquinoline-1,3-dione
CID 3941057
10-(2-iodophenyl)-1,4,7-trioxa-10-azacyclododecane
CID 101167141
[7-fluoro-2-(2-morpholin-4-ylphenyl)-4-oxo-1H-quinolin-3-yl] hydrogen carbonate
CID 67760917
4-(2-pyrimidin-5-ylphenyl)morpholine
CID 68578973
3-(2-morpholin-4-ylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117435513
3-(2-morpholin-4-ylphenyl)phenol
CID 173316588

Frequently Asked Questions

What is the IUPAC name of 4-(2-morpholin-4-ylphenyl)-2H-isoquinolin-1-one?
The IUPAC name of 4-(2-morpholin-4-ylphenyl)-2H-isoquinolin-1-one (CID 141310888) is 4-(2-morpholin-4-ylphenyl)-2H-isoquinolin-1-one.
What is the SMILES notation for 4-(2-morpholin-4-ylphenyl)-2H-isoquinolin-1-one?
The canonical SMILES for 4-(2-morpholin-4-ylphenyl)-2H-isoquinolin-1-one is O=c1[nH]cc(-c2ccccc2N2CCOCC2)c2ccccc12.
What is the InChIKey of 4-(2-morpholin-4-ylphenyl)-2H-isoquinolin-1-one?
The InChIKey is AANSAGITNRFNKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c22-19-16-7-2-1-5-14(16)17(13-20-19)15-6-3-4-8-18(15)21-9-11-23-12-10-21/h1-8,13H,9-12H2,(H,20,22).
What are the key properties of 4-(2-morpholin-4-ylphenyl)-2H-isoquinolin-1-one?
4-(2-morpholin-4-ylphenyl)-2H-isoquinolin-1-one has a molecular weight of 306.37 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-morpholin-4-ylphenyl)-2H-isoquinolin-1-one is sourced from PubChem (CID 141310888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).