(4-morpholin-4-ylnaphthalene-1-carbonyl) 4-morpholin-4-ylnaphthalene-1-carboxylate

C30H28N2O5 — CID 87307439

IUPAC(4-morpholin-4-ylnaphthalene-1-carbonyl) 4-morpholin-4-ylnaphthalene-1-carboxylate
SMILESO=C(OC(=O)c1ccc(N2CCOCC2)c2ccccc12)c1ccc(N2CCOCC2)c2ccccc12
InChIInChI=1S/C30H28N2O5/c33-29(25-9-11-27(31-13-17-35-18-14-31)23-7-3-1-5-21(23)25)37-30(34)26-10-12-28(32-15-19-36-20-16-32)24-8-4-2-6-22(24)26/h1-12H,13-20H2
InChIKeyGMRNYEPZZWXHSA-UHFFFAOYSA-N
MW496.56 g/mol
LogP4.66
Rot. Bonds4

About (4-morpholin-4-ylnaphthalene-1-carbonyl) 4-morpholin-4-ylnaphthalene-1-carboxylate

(4-morpholin-4-ylnaphthalene-1-carbonyl) 4-morpholin-4-ylnaphthalene-1-carboxylate (PubChem CID 87307439) has the molecular formula C30H28N2O5 and a molecular weight of 496.56 g/mol. Its IUPAC name is (4-morpholin-4-ylnaphthalene-1-carbonyl) 4-morpholin-4-ylnaphthalene-1-carboxylate.

Molecular Properties

Compound Name(4-morpholin-4-ylnaphthalene-1-carbonyl) 4-morpholin-4-ylnaphthalene-1-carboxylate
PubChem CID87307439
Molecular FormulaC30H28N2O5
Molecular Weight496.56 g/mol
Exact Mass496.20
IUPAC Name(4-morpholin-4-ylnaphthalene-1-carbonyl) 4-morpholin-4-ylnaphthalene-1-carboxylate
SMILESO=C(OC(=O)c1ccc(N2CCOCC2)c2ccccc12)c1ccc(N2CCOCC2)c2ccccc12
InChIInChI=1S/C30H28N2O5/c33-29(25-9-11-27(31-13-17-35-18-14-31)23-7-3-1-5-21(23)25)37-30(34)26-10-12-28(32-15-19-36-20-16-32)24-8-4-2-6-22(24)26/h1-12H,13-20H2
InChIKeyGMRNYEPZZWXHSA-UHFFFAOYSA-N
XLogP4.66
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.56
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

methyl 2-methoxy-3-morpholin-4-ylbenzoate
CID 162506076
4-pyrrolidin-1-ylnaphthalene-1-carboxylic acid
CID 11564970
(E)-3-(4-morpholin-4-ylnaphthalen-1-yl)prop-2-enoic acid
CID 122703391
2-hydroxy-3-(4-morpholin-4-ylnaphthalen-1-yl)propanoic acid
CID 175286928
4,5-dimorpholin-4-ylnaphthalene-1,8-dicarboxylic acid
CID 23793828
1-(4-piperidin-1-ylnaphthalen-1-yl)propan-1-one
CID 174478124
2-(2-morpholin-4-ylphenyl)-2-oxoacetic acid
CID 117341791
5-morpholin-4-yl-8-nitronaphthalene-1-carboxylic acid
CID 54858952
methylsulfanylmethyl 2-morpholin-4-ylbenzoate
CID 174939418
4-(4-butylnaphthalen-1-yl)morpholine
CID 135021115
naphthalen-1-yl 2-morpholin-4-yl-5-nitrobenzoate
CID 18075436
2-morpholin-4-ylbenzohydrazide
CID 7148386

Frequently Asked Questions

What is the IUPAC name of (4-morpholin-4-ylnaphthalene-1-carbonyl) 4-morpholin-4-ylnaphthalene-1-carboxylate?
The IUPAC name of (4-morpholin-4-ylnaphthalene-1-carbonyl) 4-morpholin-4-ylnaphthalene-1-carboxylate (CID 87307439) is (4-morpholin-4-ylnaphthalene-1-carbonyl) 4-morpholin-4-ylnaphthalene-1-carboxylate.
What is the SMILES notation for (4-morpholin-4-ylnaphthalene-1-carbonyl) 4-morpholin-4-ylnaphthalene-1-carboxylate?
The canonical SMILES for (4-morpholin-4-ylnaphthalene-1-carbonyl) 4-morpholin-4-ylnaphthalene-1-carboxylate is O=C(OC(=O)c1ccc(N2CCOCC2)c2ccccc12)c1ccc(N2CCOCC2)c2ccccc12.
What is the InChIKey of (4-morpholin-4-ylnaphthalene-1-carbonyl) 4-morpholin-4-ylnaphthalene-1-carboxylate?
The InChIKey is GMRNYEPZZWXHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N2O5/c33-29(25-9-11-27(31-13-17-35-18-14-31)23-7-3-1-5-21(23)25)37-30(34)26-10-12-28(32-15-19-36-20-16-32)24-8-4-2-6-22(24)26/h1-12H,13-20H2.
What are the key properties of (4-morpholin-4-ylnaphthalene-1-carbonyl) 4-morpholin-4-ylnaphthalene-1-carboxylate?
(4-morpholin-4-ylnaphthalene-1-carbonyl) 4-morpholin-4-ylnaphthalene-1-carboxylate has a molecular weight of 496.56 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-morpholin-4-ylnaphthalene-1-carbonyl) 4-morpholin-4-ylnaphthalene-1-carboxylate is sourced from PubChem (CID 87307439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).