2-morpholin-4-yl-N-[6-[(2-morpholin-4-ylacetyl)amino]acridin-3-yl]acetamide;dihydrate;trihydrochloride

C25H36Cl3N5O6 — CID 21438204

IUPAC2-morpholin-4-yl-N-[6-[(2-morpholin-4-ylacetyl)amino]acridin-3-yl]acetamide;dihydrate;trihydrochloride
SMILESCl.Cl.Cl.O.O.O=C(CN1CCOCC1)Nc1ccc2cc3ccc(NC(=O)CN4CCOCC4)cc3nc2c1
InChIInChI=1S/C25H29N5O4.3ClH.2H2O/c31-24(16-29-5-9-33-10-6-29)26-20-3-1-18-13-19-2-4-21(15-23(19)28-22(18)14-20)27-25(32)17-30-7-11-34-12-8-30;;;;;/h1-4,13-15H,5-12,16-17H2,(H,26,31)(H,27,32);3*1H;2*1H2
InChIKeyOLYBQLQAEPDDMR-UHFFFAOYSA-N
MW608.95 g/mol
LogP1.55
Rot. Bonds6

About 2-morpholin-4-yl-N-[6-[(2-morpholin-4-ylacetyl)amino]acridin-3-yl]acetamide;dihydrate;trihydrochloride

2-morpholin-4-yl-N-[6-[(2-morpholin-4-ylacetyl)amino]acridin-3-yl]acetamide;dihydrate;trihydrochloride (PubChem CID 21438204) has the molecular formula C25H36Cl3N5O6 and a molecular weight of 608.95 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-[6-[(2-morpholin-4-ylacetyl)amino]acridin-3-yl]acetamide;dihydrate;trihydrochloride.

Molecular Properties

Compound Name2-morpholin-4-yl-N-[6-[(2-morpholin-4-ylacetyl)amino]acridin-3-yl]acetamide;dihydrate;trihydrochloride
PubChem CID21438204
Molecular FormulaC25H36Cl3N5O6
Molecular Weight608.95 g/mol
Exact Mass607.17
IUPAC Name2-morpholin-4-yl-N-[6-[(2-morpholin-4-ylacetyl)amino]acridin-3-yl]acetamide;dihydrate;trihydrochloride
SMILESCl.Cl.Cl.O.O.O=C(CN1CCOCC1)Nc1ccc2cc3ccc(NC(=O)CN4CCOCC4)cc3nc2c1
InChIInChI=1S/C25H29N5O4.3ClH.2H2O/c31-24(16-29-5-9-33-10-6-29)26-20-3-1-18-13-19-2-4-21(15-23(19)28-22(18)14-20)27-25(32)17-30-7-11-34-12-8-30;;;;;/h1-4,13-15H,5-12,16-17H2,(H,26,31)(H,27,32);3*1H;2*1H2
InChIKeyOLYBQLQAEPDDMR-UHFFFAOYSA-N
XLogP1.55
TPSA159.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500608.95
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

bis(2-thiomorpholin-4-yl-N-[6-[(2-thiomorpholin-4-ylacetyl)amino]acridin-3-yl]acetamide);hydrate
CID 88824310
2-(4-hydroxypiperidin-1-yl)-N-[6-[[2-(4-hydroxypiperidin-1-yl)acetyl]amino]acridin-3-yl]acetamide;hydrate
CID 21438217
N-[4-[[7-hydroxy-3-(4-hydroxyphenyl)quinolin-2-yl]amino]phenyl]-2-morpholin-4-ylacetamide
CID 141498089
2-morpholin-4-yl-N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)acetamide
CID 25211123
N-(3-bromo-4-methylphenyl)-2-morpholin-4-ylacetamide;hydrochloride
CID 90485324
ethane;N-(4-methylphenyl)-2-morpholin-4-ylacetamide
CID 142923820
N-(4-iodophenyl)-2-morpholin-4-ylacetamide
CID 677187
3-amino-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide;dihydrochloride
CID 119840811
N-[3-(dimethylamino)phenyl]-2-morpholin-4-ylacetamide
CID 110483400
N-(4-chloro-3-iodophenyl)-2-morpholin-4-ylacetamide
CID 142417419
2-[13-(2-anilino-2-oxoethyl)-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]-N-phenylacetamide
CID 649229
2-morpholin-4-yl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 4975216

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-N-[6-[(2-morpholin-4-ylacetyl)amino]acridin-3-yl]acetamide;dihydrate;trihydrochloride?
The IUPAC name of 2-morpholin-4-yl-N-[6-[(2-morpholin-4-ylacetyl)amino]acridin-3-yl]acetamide;dihydrate;trihydrochloride (CID 21438204) is 2-morpholin-4-yl-N-[6-[(2-morpholin-4-ylacetyl)amino]acridin-3-yl]acetamide;dihydrate;trihydrochloride.
What is the SMILES notation for 2-morpholin-4-yl-N-[6-[(2-morpholin-4-ylacetyl)amino]acridin-3-yl]acetamide;dihydrate;trihydrochloride?
The canonical SMILES for 2-morpholin-4-yl-N-[6-[(2-morpholin-4-ylacetyl)amino]acridin-3-yl]acetamide;dihydrate;trihydrochloride is Cl.Cl.Cl.O.O.O=C(CN1CCOCC1)Nc1ccc2cc3ccc(NC(=O)CN4CCOCC4)cc3nc2c1.
What is the InChIKey of 2-morpholin-4-yl-N-[6-[(2-morpholin-4-ylacetyl)amino]acridin-3-yl]acetamide;dihydrate;trihydrochloride?
The InChIKey is OLYBQLQAEPDDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O4.3ClH.2H2O/c31-24(16-29-5-9-33-10-6-29)26-20-3-1-18-13-19-2-4-21(15-23(19)28-22(18)14-20)27-25(32)17-30-7-11-34-12-8-30;;;;;/h1-4,13-15H,5-12,16-17H2,(H,26,31)(H,27,32);3*1H;2*1H2.
What are the key properties of 2-morpholin-4-yl-N-[6-[(2-morpholin-4-ylacetyl)amino]acridin-3-yl]acetamide;dihydrate;trihydrochloride?
2-morpholin-4-yl-N-[6-[(2-morpholin-4-ylacetyl)amino]acridin-3-yl]acetamide;dihydrate;trihydrochloride has a molecular weight of 608.95 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N-[6-[(2-morpholin-4-ylacetyl)amino]acridin-3-yl]acetamide;dihydrate;trihydrochloride is sourced from PubChem (CID 21438204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).