6-chloro-5,7-dimethoxy-2,3,4,10-tetrahydroacridine-1,9-dione

C15H14ClNO4 — CID 134868559

IUPAC6-chloro-5,7-dimethoxy-2,3,4,10-tetrahydroacridine-1,9-dione
SMILESCOc1cc2c(=O)c3c([nH]c2c(OC)c1Cl)CCCC3=O
InChIInChI=1S/C15H14ClNO4/c1-20-10-6-7-13(15(21-2)12(10)16)17-8-4-3-5-9(18)11(8)14(7)19/h6H,3-5H2,1-2H3,(H,17,19)
InChIKeyCKPFHXGTVOKVRH-UHFFFAOYSA-N
MW307.73 g/mol
LogP2.72
Rot. Bonds2

About 6-chloro-5,7-dimethoxy-2,3,4,10-tetrahydroacridine-1,9-dione

6-chloro-5,7-dimethoxy-2,3,4,10-tetrahydroacridine-1,9-dione (PubChem CID 134868559) has the molecular formula C15H14ClNO4 and a molecular weight of 307.73 g/mol. Its IUPAC name is 6-chloro-5,7-dimethoxy-2,3,4,10-tetrahydroacridine-1,9-dione.

Molecular Properties

Compound Name6-chloro-5,7-dimethoxy-2,3,4,10-tetrahydroacridine-1,9-dione
PubChem CID134868559
Molecular FormulaC15H14ClNO4
Molecular Weight307.73 g/mol
Exact Mass307.06
IUPAC Name6-chloro-5,7-dimethoxy-2,3,4,10-tetrahydroacridine-1,9-dione
SMILESCOc1cc2c(=O)c3c([nH]c2c(OC)c1Cl)CCCC3=O
InChIInChI=1S/C15H14ClNO4/c1-20-10-6-7-13(15(21-2)12(10)16)17-8-4-3-5-9(18)11(8)14(7)19/h6H,3-5H2,1-2H3,(H,17,19)
InChIKeyCKPFHXGTVOKVRH-UHFFFAOYSA-N
XLogP2.72
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.73
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5,7-dimethoxy-2,3,4,10-tetrahydroacridine-1,9-dione?
The IUPAC name of 6-chloro-5,7-dimethoxy-2,3,4,10-tetrahydroacridine-1,9-dione (CID 134868559) is 6-chloro-5,7-dimethoxy-2,3,4,10-tetrahydroacridine-1,9-dione.
What is the SMILES notation for 6-chloro-5,7-dimethoxy-2,3,4,10-tetrahydroacridine-1,9-dione?
The canonical SMILES for 6-chloro-5,7-dimethoxy-2,3,4,10-tetrahydroacridine-1,9-dione is COc1cc2c(=O)c3c([nH]c2c(OC)c1Cl)CCCC3=O.
What is the InChIKey of 6-chloro-5,7-dimethoxy-2,3,4,10-tetrahydroacridine-1,9-dione?
The InChIKey is CKPFHXGTVOKVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO4/c1-20-10-6-7-13(15(21-2)12(10)16)17-8-4-3-5-9(18)11(8)14(7)19/h6H,3-5H2,1-2H3,(H,17,19).
What are the key properties of 6-chloro-5,7-dimethoxy-2,3,4,10-tetrahydroacridine-1,9-dione?
6-chloro-5,7-dimethoxy-2,3,4,10-tetrahydroacridine-1,9-dione has a molecular weight of 307.73 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5,7-dimethoxy-2,3,4,10-tetrahydroacridine-1,9-dione is sourced from PubChem (CID 134868559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).