5-methyl-5-[7-(2-methyl-6-morpholin-4-yl-6-oxohexan-2-yl)anthracen-2-yl]-1-morpholin-4-ylhexan-1-one

C36H48N2O4 — CID 56636749

IUPAC5-methyl-5-[7-(2-methyl-6-morpholin-4-yl-6-oxohexan-2-yl)anthracen-2-yl]-1-morpholin-4-ylhexan-1-one
SMILESCC(C)(CCCC(=O)N1CCOCC1)c1ccc2cc3ccc(C(C)(C)CCCC(=O)N4CCOCC4)cc3cc2c1
InChIInChI=1S/C36H48N2O4/c1-35(2,13-5-7-33(39)37-15-19-41-20-16-37)31-11-9-27-23-28-10-12-32(26-30(28)24-29(27)25-31)36(3,4)14-6-8-34(40)38-17-21-42-22-18-38/h9-12,23-26H,5-8,13-22H2,1-4H3
InChIKeyRCBJGLNCAOGIEM-UHFFFAOYSA-N
MW572.79 g/mol
LogP6.61
Rot. Bonds10

About 5-methyl-5-[7-(2-methyl-6-morpholin-4-yl-6-oxohexan-2-yl)anthracen-2-yl]-1-morpholin-4-ylhexan-1-one

5-methyl-5-[7-(2-methyl-6-morpholin-4-yl-6-oxohexan-2-yl)anthracen-2-yl]-1-morpholin-4-ylhexan-1-one (PubChem CID 56636749) has the molecular formula C36H48N2O4 and a molecular weight of 572.79 g/mol. Its IUPAC name is 5-methyl-5-[7-(2-methyl-6-morpholin-4-yl-6-oxohexan-2-yl)anthracen-2-yl]-1-morpholin-4-ylhexan-1-one.

Molecular Properties

Compound Name5-methyl-5-[7-(2-methyl-6-morpholin-4-yl-6-oxohexan-2-yl)anthracen-2-yl]-1-morpholin-4-ylhexan-1-one
PubChem CID56636749
Molecular FormulaC36H48N2O4
Molecular Weight572.79 g/mol
Exact Mass572.36
IUPAC Name5-methyl-5-[7-(2-methyl-6-morpholin-4-yl-6-oxohexan-2-yl)anthracen-2-yl]-1-morpholin-4-ylhexan-1-one
SMILESCC(C)(CCCC(=O)N1CCOCC1)c1ccc2cc3ccc(C(C)(C)CCCC(=O)N4CCOCC4)cc3cc2c1
InChIInChI=1S/C36H48N2O4/c1-35(2,13-5-7-33(39)37-15-19-41-20-16-37)31-11-9-27-23-28-10-12-32(26-30(28)24-29(27)25-31)36(3,4)14-6-8-34(40)38-17-21-42-22-18-38/h9-12,23-26H,5-8,13-22H2,1-4H3
InChIKeyRCBJGLNCAOGIEM-UHFFFAOYSA-N
XLogP6.61
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.79
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 5-methyl-5-[7-(2-methyl-6-morpholin-4-yl-6-oxohexan-2-yl)anthracen-2-yl]-1-morpholin-4-ylhexan-1-one with MolForge

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Launch Full Analysis

Related Compounds

1-[[2-[2-hydroxy-4-(2-methyl-7-morpholin-4-yl-7-oxoheptan-2-yl)phenyl]phenyl]methyl]-3-propan-2-ylurea
CID 11555038
N-[[2-[2-hydroxy-4-(2-methyl-7-morpholin-4-yl-7-oxoheptan-2-yl)phenyl]phenyl]methyl]furan-2-carboxamide
CID 11511736
6-[4-[2-(aminomethyl)phenyl]-3-cyclohex-2-en-1-yloxyphenyl]-6-methyl-1-morpholin-4-ylheptan-1-one
CID 143214345
6-[4-[2-(aminomethyl)phenyl]-3-methoxyphenyl]-6-methyl-1-morpholin-4-ylheptan-1-one;6-[4-[3-(aminomethyl)phenyl]-3-methoxyphenyl]-6-methyl-1-morpholin-4-ylheptan-1-one
CID 157210754
N-[[2-[2-hydroxy-4-(2-methyl-7-morpholin-4-yl-7-oxoheptan-2-yl)phenyl]phenyl]methyl]-5-oxopyrrolidine-2-carboxamide
CID 11713364
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]morpholine-4-carboxamide
CID 60603703
ethane;1-morpholin-4-ylhexan-1-one
CID 143214280
6-(3-hydroxyphenyl)-6-methyl-1-morpholin-4-ylheptan-1-one;(2E,4E)-6-methyl-1-morpholin-4-yl-6-(3-phenylmethoxyphenyl)hepta-2,4-dien-1-one;molecular hydrogen
CID 162070529
4-[4-(methylamino)phenoxy]-1-morpholin-4-ylbutan-1-one
CID 61028358
5-hydroxy-1-morpholin-4-ylpentan-1-one
CID 54520383
5-morpholin-4-yl-5-oxopentanamide
CID 135345694
4-tert-butyl-N-(2-morpholin-4-yl-2-oxoethyl)benzamide
CID 27258300

Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-[7-(2-methyl-6-morpholin-4-yl-6-oxohexan-2-yl)anthracen-2-yl]-1-morpholin-4-ylhexan-1-one?
The IUPAC name of 5-methyl-5-[7-(2-methyl-6-morpholin-4-yl-6-oxohexan-2-yl)anthracen-2-yl]-1-morpholin-4-ylhexan-1-one (CID 56636749) is 5-methyl-5-[7-(2-methyl-6-morpholin-4-yl-6-oxohexan-2-yl)anthracen-2-yl]-1-morpholin-4-ylhexan-1-one.
What is the SMILES notation for 5-methyl-5-[7-(2-methyl-6-morpholin-4-yl-6-oxohexan-2-yl)anthracen-2-yl]-1-morpholin-4-ylhexan-1-one?
The canonical SMILES for 5-methyl-5-[7-(2-methyl-6-morpholin-4-yl-6-oxohexan-2-yl)anthracen-2-yl]-1-morpholin-4-ylhexan-1-one is CC(C)(CCCC(=O)N1CCOCC1)c1ccc2cc3ccc(C(C)(C)CCCC(=O)N4CCOCC4)cc3cc2c1.
What is the InChIKey of 5-methyl-5-[7-(2-methyl-6-morpholin-4-yl-6-oxohexan-2-yl)anthracen-2-yl]-1-morpholin-4-ylhexan-1-one?
The InChIKey is RCBJGLNCAOGIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H48N2O4/c1-35(2,13-5-7-33(39)37-15-19-41-20-16-37)31-11-9-27-23-28-10-12-32(26-30(28)24-29(27)25-31)36(3,4)14-6-8-34(40)38-17-21-42-22-18-38/h9-12,23-26H,5-8,13-22H2,1-4H3.
What are the key properties of 5-methyl-5-[7-(2-methyl-6-morpholin-4-yl-6-oxohexan-2-yl)anthracen-2-yl]-1-morpholin-4-ylhexan-1-one?
5-methyl-5-[7-(2-methyl-6-morpholin-4-yl-6-oxohexan-2-yl)anthracen-2-yl]-1-morpholin-4-ylhexan-1-one has a molecular weight of 572.79 g/mol, XLogP of 6.61, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-[7-(2-methyl-6-morpholin-4-yl-6-oxohexan-2-yl)anthracen-2-yl]-1-morpholin-4-ylhexan-1-one is sourced from PubChem (CID 56636749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).