3-morpholin-4-yl-1-naphthalen-2-ylpropan-1-one

C17H19NO2 — CID 2807050

IUPAC3-morpholin-4-yl-1-naphthalen-2-ylpropan-1-one
SMILESO=C(CCN1CCOCC1)c1ccc2ccccc2c1
InChIInChI=1S/C17H19NO2/c19-17(7-8-18-9-11-20-12-10-18)16-6-5-14-3-1-2-4-15(14)13-16/h1-6,13H,7-12H2
InChIKeyMHCQWVUOAKFZBT-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.74
Rot. Bonds4

About 3-morpholin-4-yl-1-naphthalen-2-ylpropan-1-one

3-morpholin-4-yl-1-naphthalen-2-ylpropan-1-one (PubChem CID 2807050) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 3-morpholin-4-yl-1-naphthalen-2-ylpropan-1-one.

Molecular Properties

Compound Name3-morpholin-4-yl-1-naphthalen-2-ylpropan-1-one
PubChem CID2807050
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name3-morpholin-4-yl-1-naphthalen-2-ylpropan-1-one
SMILESO=C(CCN1CCOCC1)c1ccc2ccccc2c1
InChIInChI=1S/C17H19NO2/c19-17(7-8-18-9-11-20-12-10-18)16-6-5-14-3-1-2-4-15(14)13-16/h1-6,13H,7-12H2
InChIKeyMHCQWVUOAKFZBT-UHFFFAOYSA-N
XLogP2.74
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-morpholin-4-ylethylamino)-1-naphthalen-2-ylethanone
CID 82101636
1-isoquinolin-7-yl-3-morpholin-4-ylpropan-1-one
CID 71156888
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-morpholin-4-ylpropan-1-one
CID 731793
1-(3-methylphenyl)-3-morpholin-4-ylpropan-1-one
CID 10198554
1,4-dinaphthalen-2-ylbutane-1,4-dione
CID 593323
5-(azepan-1-yl)-1-naphthalen-2-ylpentan-1-one
CID 59229826
1-(3-ethylphenyl)-3-morpholin-4-ylpropan-1-one
CID 70850714
1-(1-benzofuran-2-yl)-3-morpholin-4-ylpropan-1-one;hydrochloride
CID 14509721
1-naphthalen-2-yl-5-piperazin-1-ylpentan-1-one
CID 59200501
1-(3H-benzo[e]indazol-7-yl)-3-morpholin-4-ylpropan-1-one
CID 71156893
1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-3-morpholin-4-ylpropan-1-one
CID 82050758
3-morpholin-4-yl-1-(4-propan-2-yloxyphenyl)propan-1-one;hydrochloride
CID 52997518

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-1-naphthalen-2-ylpropan-1-one?
The IUPAC name of 3-morpholin-4-yl-1-naphthalen-2-ylpropan-1-one (CID 2807050) is 3-morpholin-4-yl-1-naphthalen-2-ylpropan-1-one.
What is the SMILES notation for 3-morpholin-4-yl-1-naphthalen-2-ylpropan-1-one?
The canonical SMILES for 3-morpholin-4-yl-1-naphthalen-2-ylpropan-1-one is O=C(CCN1CCOCC1)c1ccc2ccccc2c1.
What is the InChIKey of 3-morpholin-4-yl-1-naphthalen-2-ylpropan-1-one?
The InChIKey is MHCQWVUOAKFZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c19-17(7-8-18-9-11-20-12-10-18)16-6-5-14-3-1-2-4-15(14)13-16/h1-6,13H,7-12H2.
What are the key properties of 3-morpholin-4-yl-1-naphthalen-2-ylpropan-1-one?
3-morpholin-4-yl-1-naphthalen-2-ylpropan-1-one has a molecular weight of 269.34 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-1-naphthalen-2-ylpropan-1-one is sourced from PubChem (CID 2807050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).