9-(4-chlorophenyl)-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione

C19H18ClNO2 — CID 1088739

IUPAC9-(4-chlorophenyl)-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione
SMILESO=C1CCCC2=C1C(c1ccc(Cl)cc1)C1=C(CCCC1=O)N2
InChIInChI=1S/C19H18ClNO2/c20-12-9-7-11(8-10-12)17-18-13(3-1-5-15(18)22)21-14-4-2-6-16(23)19(14)17/h7-10,17,21H,1-6H2
InChIKeyPPRLGVQVVRSOEA-UHFFFAOYSA-N
MW327.81 g/mol
LogP4.04
Rot. Bonds1

About 9-(4-chlorophenyl)-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione

9-(4-chlorophenyl)-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione (PubChem CID 1088739) has the molecular formula C19H18ClNO2 and a molecular weight of 327.81 g/mol. Its IUPAC name is 9-(4-chlorophenyl)-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione.

Molecular Properties

Compound Name9-(4-chlorophenyl)-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione
PubChem CID1088739
Molecular FormulaC19H18ClNO2
Molecular Weight327.81 g/mol
Exact Mass327.10
IUPAC Name9-(4-chlorophenyl)-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione
SMILESO=C1CCCC2=C1C(c1ccc(Cl)cc1)C1=C(CCCC1=O)N2
InChIInChI=1S/C19H18ClNO2/c20-12-9-7-11(8-10-12)17-18-13(3-1-5-15(18)22)21-14-4-2-6-16(23)19(14)17/h7-10,17,21H,1-6H2
InChIKeyPPRLGVQVVRSOEA-UHFFFAOYSA-N
XLogP4.04
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.81
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-(4-chlorophenyl)-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione?
The IUPAC name of 9-(4-chlorophenyl)-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione (CID 1088739) is 9-(4-chlorophenyl)-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione.
What is the SMILES notation for 9-(4-chlorophenyl)-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione?
The canonical SMILES for 9-(4-chlorophenyl)-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione is O=C1CCCC2=C1C(c1ccc(Cl)cc1)C1=C(CCCC1=O)N2.
What is the InChIKey of 9-(4-chlorophenyl)-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione?
The InChIKey is PPRLGVQVVRSOEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClNO2/c20-12-9-7-11(8-10-12)17-18-13(3-1-5-15(18)22)21-14-4-2-6-16(23)19(14)17/h7-10,17,21H,1-6H2.
What are the key properties of 9-(4-chlorophenyl)-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione?
9-(4-chlorophenyl)-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione has a molecular weight of 327.81 g/mol, XLogP of 4.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-chlorophenyl)-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione is sourced from PubChem (CID 1088739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).