1-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]propane-1,2-dione

C19H21NO4 — CID 58262575

IUPAC1-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]propane-1,2-dione
SMILESCC(=O)C(=O)c1ccc(OCCN2CCOCC2)c2ccccc12
InChIInChI=1S/C19H21NO4/c1-14(21)19(22)17-6-7-18(16-5-3-2-4-15(16)17)24-13-10-20-8-11-23-12-9-20/h2-7H,8-13H2,1H3
InChIKeyRXHWQLQZWPENAI-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.32
Rot. Bonds6

About 1-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]propane-1,2-dione

1-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]propane-1,2-dione (PubChem CID 58262575) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is 1-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]propane-1,2-dione.

Molecular Properties

Compound Name1-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]propane-1,2-dione
PubChem CID58262575
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name1-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]propane-1,2-dione
SMILESCC(=O)C(=O)c1ccc(OCCN2CCOCC2)c2ccccc12
InChIInChI=1S/C19H21NO4/c1-14(21)19(22)17-6-7-18(16-5-3-2-4-15(16)17)24-13-10-20-8-11-23-12-9-20/h2-7H,8-13H2,1H3
InChIKeyRXHWQLQZWPENAI-UHFFFAOYSA-N
XLogP2.32
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(2-tert-butylphenyl)-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide
CID 58262613
methyl 2-chloro-2-oxoacetate;methyl 2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetate;4-(2-naphthalen-1-yloxyethyl)morpholine
CID 159215074
N-(1H-indazol-3-yl)-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide
CID 58262604
N-(3-fluoro-5-morpholin-4-ylphenyl)-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide
CID 24965753
5-(1-bicyclo[2.2.1]heptanyl)-1-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]pent-3-ene-1,2-dione
CID 123170472
[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea
CID 18628987
[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl] cyanate
CID 143015562
4-[2-(4-chloronaphthalen-1-yl)oxyethyl]morpholine
CID 868523
2,2-difluoro-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]acetic acid
CID 59379811
4-[2-(4-nitronaphthalen-1-yl)oxyethyl]morpholine
CID 11991204
2-[2-(1,4-oxazepan-4-yl)ethoxy]benzoic acid
CID 55134744
2-methyl-1-[2-(2-morpholin-4-ylethoxy)phenyl]propan-1-one
CID 118041363

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]propane-1,2-dione?
The IUPAC name of 1-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]propane-1,2-dione (CID 58262575) is 1-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]propane-1,2-dione.
What is the SMILES notation for 1-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]propane-1,2-dione?
The canonical SMILES for 1-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]propane-1,2-dione is CC(=O)C(=O)c1ccc(OCCN2CCOCC2)c2ccccc12.
What is the InChIKey of 1-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]propane-1,2-dione?
The InChIKey is RXHWQLQZWPENAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-14(21)19(22)17-6-7-18(16-5-3-2-4-15(16)17)24-13-10-20-8-11-23-12-9-20/h2-7H,8-13H2,1H3.
What are the key properties of 1-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]propane-1,2-dione?
1-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]propane-1,2-dione has a molecular weight of 327.38 g/mol, XLogP of 2.32, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]propane-1,2-dione is sourced from PubChem (CID 58262575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).