[1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate

C26H25N3O4 — CID 43015024

IUPAC[1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
SMILESCc1ccc2nc3c(c(C(=O)OC(C)C(=O)N4CC(=O)Nc5ccccc54)c2c1)CCCC3
InChIInChI=1S/C26H25N3O4/c1-15-11-12-20-18(13-15)24(17-7-3-4-8-19(17)27-20)26(32)33-16(2)25(31)29-14-23(30)28-21-9-5-6-10-22(21)29/h5-6,9-13,16H,3-4,7-8,14H2,1-2H3,(H,28,30)
InChIKeyOIDFIUSJUHWTPP-UHFFFAOYSA-N
MW443.50 g/mol
LogP3.95
Rot. Bonds3

About [1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate

[1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate (PubChem CID 43015024) has the molecular formula C26H25N3O4 and a molecular weight of 443.50 g/mol. Its IUPAC name is [1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate.

Molecular Properties

Compound Name[1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
PubChem CID43015024
Molecular FormulaC26H25N3O4
Molecular Weight443.50 g/mol
Exact Mass443.18
IUPAC Name[1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
SMILESCc1ccc2nc3c(c(C(=O)OC(C)C(=O)N4CC(=O)Nc5ccccc54)c2c1)CCCC3
InChIInChI=1S/C26H25N3O4/c1-15-11-12-20-18(13-15)24(17-7-3-4-8-19(17)27-20)26(32)33-16(2)25(31)29-14-23(30)28-21-9-5-6-10-22(21)29/h5-6,9-13,16H,3-4,7-8,14H2,1-2H3,(H,28,30)
InChIKeyOIDFIUSJUHWTPP-UHFFFAOYSA-N
XLogP3.95
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.50
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate?
The IUPAC name of [1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate (CID 43015024) is [1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate.
What is the SMILES notation for [1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate?
The canonical SMILES for [1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate is Cc1ccc2nc3c(c(C(=O)OC(C)C(=O)N4CC(=O)Nc5ccccc54)c2c1)CCCC3.
What is the InChIKey of [1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate?
The InChIKey is OIDFIUSJUHWTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O4/c1-15-11-12-20-18(13-15)24(17-7-3-4-8-19(17)27-20)26(32)33-16(2)25(31)29-14-23(30)28-21-9-5-6-10-22(21)29/h5-6,9-13,16H,3-4,7-8,14H2,1-2H3,(H,28,30).
What are the key properties of [1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate?
[1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate has a molecular weight of 443.50 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate is sourced from PubChem (CID 43015024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).