2-methyl-3-(2-morpholin-4-ylethylamino)-5-phenylmethoxynaphthalene-1,4-dione

C24H26N2O4 — CID 155805325

IUPAC2-methyl-3-(2-morpholin-4-ylethylamino)-5-phenylmethoxynaphthalene-1,4-dione
SMILESCC1=C(NCCN2CCOCC2)C(=O)c2c(OCc3ccccc3)cccc2C1=O
InChIInChI=1S/C24H26N2O4/c1-17-22(25-10-11-26-12-14-29-15-13-26)24(28)21-19(23(17)27)8-5-9-20(21)30-16-18-6-3-2-4-7-18/h2-9,25H,10-16H2,1H3
InChIKeyBPUANHSGWCXKBA-UHFFFAOYSA-N
MW406.48 g/mol
LogP2.84
Rot. Bonds7

About 2-methyl-3-(2-morpholin-4-ylethylamino)-5-phenylmethoxynaphthalene-1,4-dione

2-methyl-3-(2-morpholin-4-ylethylamino)-5-phenylmethoxynaphthalene-1,4-dione (PubChem CID 155805325) has the molecular formula C24H26N2O4 and a molecular weight of 406.48 g/mol. Its IUPAC name is 2-methyl-3-(2-morpholin-4-ylethylamino)-5-phenylmethoxynaphthalene-1,4-dione.

Molecular Properties

Compound Name2-methyl-3-(2-morpholin-4-ylethylamino)-5-phenylmethoxynaphthalene-1,4-dione
PubChem CID155805325
Molecular FormulaC24H26N2O4
Molecular Weight406.48 g/mol
Exact Mass406.19
IUPAC Name2-methyl-3-(2-morpholin-4-ylethylamino)-5-phenylmethoxynaphthalene-1,4-dione
SMILESCC1=C(NCCN2CCOCC2)C(=O)c2c(OCc3ccccc3)cccc2C1=O
InChIInChI=1S/C24H26N2O4/c1-17-22(25-10-11-26-12-14-29-15-13-26)24(28)21-19(23(17)27)8-5-9-20(21)30-16-18-6-3-2-4-7-18/h2-9,25H,10-16H2,1H3
InChIKeyBPUANHSGWCXKBA-UHFFFAOYSA-N
XLogP2.84
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-morpholin-4-ylethylamino)-5-phenylmethoxynaphthalene-1,4-dione?
The IUPAC name of 2-methyl-3-(2-morpholin-4-ylethylamino)-5-phenylmethoxynaphthalene-1,4-dione (CID 155805325) is 2-methyl-3-(2-morpholin-4-ylethylamino)-5-phenylmethoxynaphthalene-1,4-dione.
What is the SMILES notation for 2-methyl-3-(2-morpholin-4-ylethylamino)-5-phenylmethoxynaphthalene-1,4-dione?
The canonical SMILES for 2-methyl-3-(2-morpholin-4-ylethylamino)-5-phenylmethoxynaphthalene-1,4-dione is CC1=C(NCCN2CCOCC2)C(=O)c2c(OCc3ccccc3)cccc2C1=O.
What is the InChIKey of 2-methyl-3-(2-morpholin-4-ylethylamino)-5-phenylmethoxynaphthalene-1,4-dione?
The InChIKey is BPUANHSGWCXKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4/c1-17-22(25-10-11-26-12-14-29-15-13-26)24(28)21-19(23(17)27)8-5-9-20(21)30-16-18-6-3-2-4-7-18/h2-9,25H,10-16H2,1H3.
What are the key properties of 2-methyl-3-(2-morpholin-4-ylethylamino)-5-phenylmethoxynaphthalene-1,4-dione?
2-methyl-3-(2-morpholin-4-ylethylamino)-5-phenylmethoxynaphthalene-1,4-dione has a molecular weight of 406.48 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-morpholin-4-ylethylamino)-5-phenylmethoxynaphthalene-1,4-dione is sourced from PubChem (CID 155805325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).