5-hydroxy-2-[2-[(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)amino]ethylamino]naphthalene-1,4-dione

C26H25N3O4 — CID 118721628

IUPAC5-hydroxy-2-[2-[(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)amino]ethylamino]naphthalene-1,4-dione
SMILESCOc1ccc2nc3c(c(NCCNC4=CC(=O)c5c(O)cccc5C4=O)c2c1)CCCC3
InChIInChI=1S/C26H25N3O4/c1-33-15-9-10-20-18(13-15)25(16-5-2-3-7-19(16)29-20)28-12-11-27-21-14-23(31)24-17(26(21)32)6-4-8-22(24)30/h4,6,8-10,13-14,27,30H,2-3,5,7,11-12H2,1H3,(H,28,29)
InChIKeyNUIGMEAFRDCLAO-UHFFFAOYSA-N
MW443.50 g/mol
LogP3.79
Rot. Bonds6

About 5-hydroxy-2-[2-[(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)amino]ethylamino]naphthalene-1,4-dione

5-hydroxy-2-[2-[(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)amino]ethylamino]naphthalene-1,4-dione (PubChem CID 118721628) has the molecular formula C26H25N3O4 and a molecular weight of 443.50 g/mol. Its IUPAC name is 5-hydroxy-2-[2-[(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)amino]ethylamino]naphthalene-1,4-dione.

Molecular Properties

Compound Name5-hydroxy-2-[2-[(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)amino]ethylamino]naphthalene-1,4-dione
PubChem CID118721628
Molecular FormulaC26H25N3O4
Molecular Weight443.50 g/mol
Exact Mass443.18
IUPAC Name5-hydroxy-2-[2-[(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)amino]ethylamino]naphthalene-1,4-dione
SMILESCOc1ccc2nc3c(c(NCCNC4=CC(=O)c5c(O)cccc5C4=O)c2c1)CCCC3
InChIInChI=1S/C26H25N3O4/c1-33-15-9-10-20-18(13-15)25(16-5-2-3-7-19(16)29-20)28-12-11-27-21-14-23(31)24-17(26(21)32)6-4-8-22(24)30/h4,6,8-10,13-14,27,30H,2-3,5,7,11-12H2,1H3,(H,28,29)
InChIKeyNUIGMEAFRDCLAO-UHFFFAOYSA-N
XLogP3.79
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.50
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-[2-[(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)amino]ethylamino]naphthalene-1,4-dione?
The IUPAC name of 5-hydroxy-2-[2-[(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)amino]ethylamino]naphthalene-1,4-dione (CID 118721628) is 5-hydroxy-2-[2-[(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)amino]ethylamino]naphthalene-1,4-dione.
What is the SMILES notation for 5-hydroxy-2-[2-[(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)amino]ethylamino]naphthalene-1,4-dione?
The canonical SMILES for 5-hydroxy-2-[2-[(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)amino]ethylamino]naphthalene-1,4-dione is COc1ccc2nc3c(c(NCCNC4=CC(=O)c5c(O)cccc5C4=O)c2c1)CCCC3.
What is the InChIKey of 5-hydroxy-2-[2-[(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)amino]ethylamino]naphthalene-1,4-dione?
The InChIKey is NUIGMEAFRDCLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O4/c1-33-15-9-10-20-18(13-15)25(16-5-2-3-7-19(16)29-20)28-12-11-27-21-14-23(31)24-17(26(21)32)6-4-8-22(24)30/h4,6,8-10,13-14,27,30H,2-3,5,7,11-12H2,1H3,(H,28,29).
What are the key properties of 5-hydroxy-2-[2-[(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)amino]ethylamino]naphthalene-1,4-dione?
5-hydroxy-2-[2-[(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)amino]ethylamino]naphthalene-1,4-dione has a molecular weight of 443.50 g/mol, XLogP of 3.79, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-[2-[(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)amino]ethylamino]naphthalene-1,4-dione is sourced from PubChem (CID 118721628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).