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

C17H20ClNO2 — CID 2807049

IUPAC3-morpholin-4-yl-1-naphthalen-2-ylpropan-1-one;hydrochloride
SMILESCl.O=C(CCN1CCOCC1)c1ccc2ccccc2c1
InChIInChI=1S/C17H19NO2.ClH/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;1H
InChIKeyMFZAKRPMEJALDN-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.17
Rot. Bonds4

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

3-morpholin-4-yl-1-naphthalen-2-ylpropan-1-one;hydrochloride (PubChem CID 2807049) has the molecular formula C17H20ClNO2 and a molecular weight of 305.81 g/mol. Its IUPAC name is 3-morpholin-4-yl-1-naphthalen-2-ylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name3-morpholin-4-yl-1-naphthalen-2-ylpropan-1-one;hydrochloride
PubChem CID2807049
Molecular FormulaC17H20ClNO2
Molecular Weight305.81 g/mol
Exact Mass305.12
IUPAC Name3-morpholin-4-yl-1-naphthalen-2-ylpropan-1-one;hydrochloride
SMILESCl.O=C(CCN1CCOCC1)c1ccc2ccccc2c1
InChIInChI=1S/C17H19NO2.ClH/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;1H
InChIKeyMFZAKRPMEJALDN-UHFFFAOYSA-N
XLogP3.17
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-1-naphthalen-2-ylpropan-1-one;hydrochloride?
The IUPAC name of 3-morpholin-4-yl-1-naphthalen-2-ylpropan-1-one;hydrochloride (CID 2807049) is 3-morpholin-4-yl-1-naphthalen-2-ylpropan-1-one;hydrochloride.
What is the SMILES notation for 3-morpholin-4-yl-1-naphthalen-2-ylpropan-1-one;hydrochloride?
The canonical SMILES for 3-morpholin-4-yl-1-naphthalen-2-ylpropan-1-one;hydrochloride is Cl.O=C(CCN1CCOCC1)c1ccc2ccccc2c1.
What is the InChIKey of 3-morpholin-4-yl-1-naphthalen-2-ylpropan-1-one;hydrochloride?
The InChIKey is MFZAKRPMEJALDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2.ClH/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;1H.
What are the key properties of 3-morpholin-4-yl-1-naphthalen-2-ylpropan-1-one;hydrochloride?
3-morpholin-4-yl-1-naphthalen-2-ylpropan-1-one;hydrochloride has a molecular weight of 305.81 g/mol, XLogP of 3.17, 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;hydrochloride is sourced from PubChem (CID 2807049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).