7-methoxy-9-[7-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)-1,7-diazacyclododec-1-yl]-1,2,3,4-tetrahydroacridine

C38H48N4O2 — CID 57390398

IUPAC7-methoxy-9-[7-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)-1,7-diazacyclododec-1-yl]-1,2,3,4-tetrahydroacridine
SMILESCOc1ccc2nc3c(c(N4CCCCCN(c5c6c(nc7ccc(OC)cc57)CCCC6)CCCCC4)c2c1)CCCC3
InChIInChI=1S/C38H48N4O2/c1-43-27-17-19-35-31(25-27)37(29-13-5-7-15-33(29)39-35)41-21-9-3-11-23-42(24-12-4-10-22-41)38-30-14-6-8-16-34(30)40-36-20-18-28(44-2)26-32(36)38/h17-20,25-26H,3-16,21-24H2,1-2H3
InChIKeyOHVOPLCDAMQVTG-UHFFFAOYSA-N
MW592.83 g/mol
LogP8.23
Rot. Bonds4

About 7-methoxy-9-[7-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)-1,7-diazacyclododec-1-yl]-1,2,3,4-tetrahydroacridine

7-methoxy-9-[7-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)-1,7-diazacyclododec-1-yl]-1,2,3,4-tetrahydroacridine (PubChem CID 57390398) has the molecular formula C38H48N4O2 and a molecular weight of 592.83 g/mol. Its IUPAC name is 7-methoxy-9-[7-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)-1,7-diazacyclododec-1-yl]-1,2,3,4-tetrahydroacridine.

Molecular Properties

Compound Name7-methoxy-9-[7-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)-1,7-diazacyclododec-1-yl]-1,2,3,4-tetrahydroacridine
PubChem CID57390398
Molecular FormulaC38H48N4O2
Molecular Weight592.83 g/mol
Exact Mass592.38
IUPAC Name7-methoxy-9-[7-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)-1,7-diazacyclododec-1-yl]-1,2,3,4-tetrahydroacridine
SMILESCOc1ccc2nc3c(c(N4CCCCCN(c5c6c(nc7ccc(OC)cc57)CCCC6)CCCCC4)c2c1)CCCC3
InChIInChI=1S/C38H48N4O2/c1-43-27-17-19-35-31(25-27)37(29-13-5-7-15-33(29)39-35)41-21-9-3-11-23-42(24-12-4-10-22-41)38-30-14-6-8-16-34(30)40-36-20-18-28(44-2)26-32(36)38/h17-20,25-26H,3-16,21-24H2,1-2H3
InChIKeyOHVOPLCDAMQVTG-UHFFFAOYSA-N
XLogP8.23
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.83
LogP ≤ 58.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-9-[7-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)-1,7-diazacyclododec-1-yl]-1,2,3,4-tetrahydroacridine?
The IUPAC name of 7-methoxy-9-[7-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)-1,7-diazacyclododec-1-yl]-1,2,3,4-tetrahydroacridine (CID 57390398) is 7-methoxy-9-[7-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)-1,7-diazacyclododec-1-yl]-1,2,3,4-tetrahydroacridine.
What is the SMILES notation for 7-methoxy-9-[7-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)-1,7-diazacyclododec-1-yl]-1,2,3,4-tetrahydroacridine?
The canonical SMILES for 7-methoxy-9-[7-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)-1,7-diazacyclododec-1-yl]-1,2,3,4-tetrahydroacridine is COc1ccc2nc3c(c(N4CCCCCN(c5c6c(nc7ccc(OC)cc57)CCCC6)CCCCC4)c2c1)CCCC3.
What is the InChIKey of 7-methoxy-9-[7-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)-1,7-diazacyclododec-1-yl]-1,2,3,4-tetrahydroacridine?
The InChIKey is OHVOPLCDAMQVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H48N4O2/c1-43-27-17-19-35-31(25-27)37(29-13-5-7-15-33(29)39-35)41-21-9-3-11-23-42(24-12-4-10-22-41)38-30-14-6-8-16-34(30)40-36-20-18-28(44-2)26-32(36)38/h17-20,25-26H,3-16,21-24H2,1-2H3.
What are the key properties of 7-methoxy-9-[7-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)-1,7-diazacyclododec-1-yl]-1,2,3,4-tetrahydroacridine?
7-methoxy-9-[7-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)-1,7-diazacyclododec-1-yl]-1,2,3,4-tetrahydroacridine has a molecular weight of 592.83 g/mol, XLogP of 8.23, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-9-[7-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)-1,7-diazacyclododec-1-yl]-1,2,3,4-tetrahydroacridine is sourced from PubChem (CID 57390398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).