3-acetyloxy-7-(2-morpholin-4-yl-2-oxoethoxy)naphthalene-2-carboxylic acid

C19H19NO7 — CID 70031847

IUPAC3-acetyloxy-7-(2-morpholin-4-yl-2-oxoethoxy)naphthalene-2-carboxylic acid
SMILESCC(=O)Oc1cc2ccc(OCC(=O)N3CCOCC3)cc2cc1C(=O)O
InChIInChI=1S/C19H19NO7/c1-12(21)27-17-10-13-2-3-15(8-14(13)9-16(17)19(23)24)26-11-18(22)20-4-6-25-7-5-20/h2-3,8-10H,4-7,11H2,1H3,(H,23,24)
InChIKeyVICAVCSKRVGAFH-UHFFFAOYSA-N
MW373.36 g/mol
LogP1.70
Rot. Bonds5

About 3-acetyloxy-7-(2-morpholin-4-yl-2-oxoethoxy)naphthalene-2-carboxylic acid

3-acetyloxy-7-(2-morpholin-4-yl-2-oxoethoxy)naphthalene-2-carboxylic acid (PubChem CID 70031847) has the molecular formula C19H19NO7 and a molecular weight of 373.36 g/mol. Its IUPAC name is 3-acetyloxy-7-(2-morpholin-4-yl-2-oxoethoxy)naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name3-acetyloxy-7-(2-morpholin-4-yl-2-oxoethoxy)naphthalene-2-carboxylic acid
PubChem CID70031847
Molecular FormulaC19H19NO7
Molecular Weight373.36 g/mol
Exact Mass373.12
IUPAC Name3-acetyloxy-7-(2-morpholin-4-yl-2-oxoethoxy)naphthalene-2-carboxylic acid
SMILESCC(=O)Oc1cc2ccc(OCC(=O)N3CCOCC3)cc2cc1C(=O)O
InChIInChI=1S/C19H19NO7/c1-12(21)27-17-10-13-2-3-15(8-14(13)9-16(17)19(23)24)26-11-18(22)20-4-6-25-7-5-20/h2-3,8-10H,4-7,11H2,1H3,(H,23,24)
InChIKeyVICAVCSKRVGAFH-UHFFFAOYSA-N
XLogP1.70
TPSA102.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.36
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[7-(4-hydroxy-3-methoxyphenyl)naphthalen-2-yl]oxy-1-morpholin-4-ylethanone
CID 172661465
5-methyl-2-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid
CID 45304075
1-(4-acetylpiperazin-1-yl)-2-(6-bromonaphthalen-2-yl)oxyethanone
CID 51142094
2-(4-methylphenoxy)-1-morpholin-4-ylethanone
CID 674914
2-(3-acetylphenoxy)-1-morpholin-4-ylethanone
CID 685737
2-(4-hydroxyphenoxy)-1-morpholin-4-ylethanone
CID 43143408
N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]acetamide
CID 7203468
2-methyl-4-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide
CID 82915625
2-[6-(4-methoxy-3-pyridinyl)naphthalen-2-yl]oxy-1-morpholin-4-ylethanone
CID 172662683
2-[7-(5-fluoro-3-pyridinyl)naphthalen-2-yl]oxy-1-morpholin-4-ylethanone
CID 172667855
N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]acetamide;hydrate
CID 139069446
(E)-3-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]prop-2-enoic acid
CID 29017799

Frequently Asked Questions

What is the IUPAC name of 3-acetyloxy-7-(2-morpholin-4-yl-2-oxoethoxy)naphthalene-2-carboxylic acid?
The IUPAC name of 3-acetyloxy-7-(2-morpholin-4-yl-2-oxoethoxy)naphthalene-2-carboxylic acid (CID 70031847) is 3-acetyloxy-7-(2-morpholin-4-yl-2-oxoethoxy)naphthalene-2-carboxylic acid.
What is the SMILES notation for 3-acetyloxy-7-(2-morpholin-4-yl-2-oxoethoxy)naphthalene-2-carboxylic acid?
The canonical SMILES for 3-acetyloxy-7-(2-morpholin-4-yl-2-oxoethoxy)naphthalene-2-carboxylic acid is CC(=O)Oc1cc2ccc(OCC(=O)N3CCOCC3)cc2cc1C(=O)O.
What is the InChIKey of 3-acetyloxy-7-(2-morpholin-4-yl-2-oxoethoxy)naphthalene-2-carboxylic acid?
The InChIKey is VICAVCSKRVGAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO7/c1-12(21)27-17-10-13-2-3-15(8-14(13)9-16(17)19(23)24)26-11-18(22)20-4-6-25-7-5-20/h2-3,8-10H,4-7,11H2,1H3,(H,23,24).
What are the key properties of 3-acetyloxy-7-(2-morpholin-4-yl-2-oxoethoxy)naphthalene-2-carboxylic acid?
3-acetyloxy-7-(2-morpholin-4-yl-2-oxoethoxy)naphthalene-2-carboxylic acid has a molecular weight of 373.36 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyloxy-7-(2-morpholin-4-yl-2-oxoethoxy)naphthalene-2-carboxylic acid is sourced from PubChem (CID 70031847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).