1-isoquinolin-7-yl-3-morpholin-4-ylpropan-1-one

C16H18N2O2 — CID 71156888

IUPAC1-isoquinolin-7-yl-3-morpholin-4-ylpropan-1-one
SMILESO=C(CCN1CCOCC1)c1ccc2ccncc2c1
InChIInChI=1S/C16H18N2O2/c19-16(4-6-18-7-9-20-10-8-18)14-2-1-13-3-5-17-12-15(13)11-14/h1-3,5,11-12H,4,6-10H2
InChIKeyYYVJEOWNGVUIRZ-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.14
Rot. Bonds4

About 1-isoquinolin-7-yl-3-morpholin-4-ylpropan-1-one

1-isoquinolin-7-yl-3-morpholin-4-ylpropan-1-one (PubChem CID 71156888) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-isoquinolin-7-yl-3-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-isoquinolin-7-yl-3-morpholin-4-ylpropan-1-one
PubChem CID71156888
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name1-isoquinolin-7-yl-3-morpholin-4-ylpropan-1-one
SMILESO=C(CCN1CCOCC1)c1ccc2ccncc2c1
InChIInChI=1S/C16H18N2O2/c19-16(4-6-18-7-9-20-10-8-18)14-2-1-13-3-5-17-12-15(13)11-14/h1-3,5,11-12H,4,6-10H2
InChIKeyYYVJEOWNGVUIRZ-UHFFFAOYSA-N
XLogP2.14
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-isoquinolin-7-yl-3-piperidin-1-ylpropan-1-one
CID 58514088
3-morpholin-4-yl-1-naphthalen-2-ylpropan-1-one
CID 2807050
1-(3H-benzo[e]indazol-7-yl)-3-morpholin-4-ylpropan-1-one
CID 71156893
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-morpholin-4-ylpropan-1-one
CID 731793
1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-3-morpholin-4-ylpropan-1-one
CID 82050758
N'-(3-morpholin-4-ylpropanoyl)-1,6-naphthyridine-3-carbohydrazide
CID 166378567
isoquinoline-7-carboxylic acid
CID 18468721
1-(3-methylphenyl)-3-morpholin-4-ylpropan-1-one
CID 10198554
1-(3-ethylphenyl)-3-morpholin-4-ylpropan-1-one
CID 70850714
1-(2,4-dimethylphenyl)-3-morpholin-4-ylpropan-1-one chloride
CID 45108470
2-(2-morpholin-4-ylethylamino)-1-naphthalen-2-ylethanone
CID 82101636
N-(2-morpholin-4-ylethyl)-4-oxo-4-pyridin-3-ylbutanamide
CID 110408170

Frequently Asked Questions

What is the IUPAC name of 1-isoquinolin-7-yl-3-morpholin-4-ylpropan-1-one?
The IUPAC name of 1-isoquinolin-7-yl-3-morpholin-4-ylpropan-1-one (CID 71156888) is 1-isoquinolin-7-yl-3-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 1-isoquinolin-7-yl-3-morpholin-4-ylpropan-1-one?
The canonical SMILES for 1-isoquinolin-7-yl-3-morpholin-4-ylpropan-1-one is O=C(CCN1CCOCC1)c1ccc2ccncc2c1.
What is the InChIKey of 1-isoquinolin-7-yl-3-morpholin-4-ylpropan-1-one?
The InChIKey is YYVJEOWNGVUIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c19-16(4-6-18-7-9-20-10-8-18)14-2-1-13-3-5-17-12-15(13)11-14/h1-3,5,11-12H,4,6-10H2.
What are the key properties of 1-isoquinolin-7-yl-3-morpholin-4-ylpropan-1-one?
1-isoquinolin-7-yl-3-morpholin-4-ylpropan-1-one has a molecular weight of 270.33 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-isoquinolin-7-yl-3-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 71156888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).