4,5-dimorpholin-4-ylnaphthalene-1,8-dicarboxylic acid

C20H22N2O6 — CID 23793828

IUPAC4,5-dimorpholin-4-ylnaphthalene-1,8-dicarboxylic acid
SMILESO=C(O)c1ccc(N2CCOCC2)c2c(N3CCOCC3)ccc(C(=O)O)c12
InChIInChI=1S/C20H22N2O6/c23-19(24)13-1-3-15(21-5-9-27-10-6-21)18-16(22-7-11-28-12-8-22)4-2-14(17(13)18)20(25)26/h1-4H,5-12H2,(H,23,24)(H,25,26)
InChIKeyXFYYINSXOKVXAY-UHFFFAOYSA-N
MW386.40 g/mol
LogP1.91
Rot. Bonds4

About 4,5-dimorpholin-4-ylnaphthalene-1,8-dicarboxylic acid

4,5-dimorpholin-4-ylnaphthalene-1,8-dicarboxylic acid (PubChem CID 23793828) has the molecular formula C20H22N2O6 and a molecular weight of 386.40 g/mol. Its IUPAC name is 4,5-dimorpholin-4-ylnaphthalene-1,8-dicarboxylic acid.

Molecular Properties

Compound Name4,5-dimorpholin-4-ylnaphthalene-1,8-dicarboxylic acid
PubChem CID23793828
Molecular FormulaC20H22N2O6
Molecular Weight386.40 g/mol
Exact Mass386.15
IUPAC Name4,5-dimorpholin-4-ylnaphthalene-1,8-dicarboxylic acid
SMILESO=C(O)c1ccc(N2CCOCC2)c2c(N3CCOCC3)ccc(C(=O)O)c12
InChIInChI=1S/C20H22N2O6/c23-19(24)13-1-3-15(21-5-9-27-10-6-21)18-16(22-7-11-28-12-8-22)4-2-14(17(13)18)20(25)26/h1-4H,5-12H2,(H,23,24)(H,25,26)
InChIKeyXFYYINSXOKVXAY-UHFFFAOYSA-N
XLogP1.91
TPSA99.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4,5-dimorpholin-4-ylnaphthalene-1,8-dicarboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methyl-2-morpholin-4-ylbenzoic acid
CID 62516703
2-chloro-3-morpholin-4-ylbenzoic acid
CID 155573324
5-morpholin-4-yl-8-nitronaphthalene-1-carboxylic acid
CID 54858952
4-methyl-2-(1,4-oxazepan-4-yl)benzoic acid
CID 62968020
2-(2-morpholin-4-ylphenyl)-2-oxoacetic acid
CID 117341791
(4-morpholin-4-ylnaphthalene-1-carbonyl) 4-morpholin-4-ylnaphthalene-1-carboxylate
CID 87307439
1-(5-methyl-2-morpholin-4-ylphenyl)ethanone
CID 117312505
2-methyl-6-morpholin-4-ylpyridine-3-carboxylic acid
CID 67287742
1-(4-amino-2-morpholin-4-ylphenyl)ethanone
CID 134460637
4-morpholin-4-yl-5-nitrophthalic acid
CID 4615082
lithium;3-methyl-4-morpholin-4-ylbenzoic acid;hydroxide
CID 159941307
3-morpholin-4-ylthiophene-2-carboxylic acid;hydrochloride
CID 142792123

Frequently Asked Questions

What is the IUPAC name of 4,5-dimorpholin-4-ylnaphthalene-1,8-dicarboxylic acid?
The IUPAC name of 4,5-dimorpholin-4-ylnaphthalene-1,8-dicarboxylic acid (CID 23793828) is 4,5-dimorpholin-4-ylnaphthalene-1,8-dicarboxylic acid.
What is the SMILES notation for 4,5-dimorpholin-4-ylnaphthalene-1,8-dicarboxylic acid?
The canonical SMILES for 4,5-dimorpholin-4-ylnaphthalene-1,8-dicarboxylic acid is O=C(O)c1ccc(N2CCOCC2)c2c(N3CCOCC3)ccc(C(=O)O)c12.
What is the InChIKey of 4,5-dimorpholin-4-ylnaphthalene-1,8-dicarboxylic acid?
The InChIKey is XFYYINSXOKVXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O6/c23-19(24)13-1-3-15(21-5-9-27-10-6-21)18-16(22-7-11-28-12-8-22)4-2-14(17(13)18)20(25)26/h1-4H,5-12H2,(H,23,24)(H,25,26).
What are the key properties of 4,5-dimorpholin-4-ylnaphthalene-1,8-dicarboxylic acid?
4,5-dimorpholin-4-ylnaphthalene-1,8-dicarboxylic acid has a molecular weight of 386.40 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimorpholin-4-ylnaphthalene-1,8-dicarboxylic acid is sourced from PubChem (CID 23793828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).