2-(6-methoxy-4-morpholin-4-ylnaphthalen-2-yl)acetaldehyde

C17H19NO3 — CID 87349603

IUPAC2-(6-methoxy-4-morpholin-4-ylnaphthalen-2-yl)acetaldehyde
SMILESCOc1ccc2cc(CC=O)cc(N3CCOCC3)c2c1
InChIInChI=1S/C17H19NO3/c1-20-15-3-2-14-10-13(4-7-19)11-17(16(14)12-15)18-5-8-21-9-6-18/h2-3,7,10-12H,4-6,8-9H2,1H3
InChIKeyMVMDYKAUGGQWKH-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.43
Rot. Bonds4

About 2-(6-methoxy-4-morpholin-4-ylnaphthalen-2-yl)acetaldehyde

2-(6-methoxy-4-morpholin-4-ylnaphthalen-2-yl)acetaldehyde (PubChem CID 87349603) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-(6-methoxy-4-morpholin-4-ylnaphthalen-2-yl)acetaldehyde.

Molecular Properties

Compound Name2-(6-methoxy-4-morpholin-4-ylnaphthalen-2-yl)acetaldehyde
PubChem CID87349603
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name2-(6-methoxy-4-morpholin-4-ylnaphthalen-2-yl)acetaldehyde
SMILESCOc1ccc2cc(CC=O)cc(N3CCOCC3)c2c1
InChIInChI=1S/C17H19NO3/c1-20-15-3-2-14-10-13(4-7-19)11-17(16(14)12-15)18-5-8-21-9-6-18/h2-3,7,10-12H,4-6,8-9H2,1H3
InChIKeyMVMDYKAUGGQWKH-UHFFFAOYSA-N
XLogP2.43
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-(4-amino-6-methoxynaphthalen-2-yl)acetaldehyde
CID 87349314
4-[3-[2-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidin-4-yl]-7-methoxynaphthalen-1-yl]morpholine
CID 58336495
4-[(6-methoxynaphthalen-2-yl)methyl]-2-morpholin-4-yl-1,3-thiazole-5-carbaldehyde
CID 88589426
4-(2-ethenyl-5-methoxyphenyl)morpholine
CID 67806391
N-[2-(7-methoxy-3-morpholin-4-ylnaphthalen-1-yl)ethyl]acetamide
CID 57381332
4-[4,6-bis[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]morpholine
CID 10076145
5-[(4-methoxy-2-morpholin-4-ylphenyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 42801011
N-[(6-methoxynaphthalen-2-yl)methyl]-4-morpholin-4-yl-3-nitrobenzamide
CID 16962073
6-methoxy-3-morpholin-4-yl-2H-isoquinolin-1-one
CID 22250132
5-(4-methoxyphenyl)-N-(2-morpholin-4-ylphenyl)pentanamide
CID 110297867
tert-butyl (E)-3-(5-methoxy-2-morpholin-4-ylphenyl)prop-2-enoate
CID 133053467
5-chloro-N-[(4-methoxyphenyl)methyl]-2-morpholin-4-ylaniline
CID 91674330

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-4-morpholin-4-ylnaphthalen-2-yl)acetaldehyde?
The IUPAC name of 2-(6-methoxy-4-morpholin-4-ylnaphthalen-2-yl)acetaldehyde (CID 87349603) is 2-(6-methoxy-4-morpholin-4-ylnaphthalen-2-yl)acetaldehyde.
What is the SMILES notation for 2-(6-methoxy-4-morpholin-4-ylnaphthalen-2-yl)acetaldehyde?
The canonical SMILES for 2-(6-methoxy-4-morpholin-4-ylnaphthalen-2-yl)acetaldehyde is COc1ccc2cc(CC=O)cc(N3CCOCC3)c2c1.
What is the InChIKey of 2-(6-methoxy-4-morpholin-4-ylnaphthalen-2-yl)acetaldehyde?
The InChIKey is MVMDYKAUGGQWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-20-15-3-2-14-10-13(4-7-19)11-17(16(14)12-15)18-5-8-21-9-6-18/h2-3,7,10-12H,4-6,8-9H2,1H3.
What are the key properties of 2-(6-methoxy-4-morpholin-4-ylnaphthalen-2-yl)acetaldehyde?
2-(6-methoxy-4-morpholin-4-ylnaphthalen-2-yl)acetaldehyde has a molecular weight of 285.34 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-4-morpholin-4-ylnaphthalen-2-yl)acetaldehyde is sourced from PubChem (CID 87349603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).