10-(2-hydroxyethyl)-9-(2-oxo-1H-pyridin-3-yl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione

C20H22N2O4 — CID 171580806

IUPAC10-(2-hydroxyethyl)-9-(2-oxo-1H-pyridin-3-yl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
SMILESO=C1CCCC2=C1C(c1ccc[nH]c1=O)C1=C(CCCC1=O)N2CCO
InChIInChI=1S/C20H22N2O4/c23-11-10-22-13-5-1-7-15(24)18(13)17(12-4-3-9-21-20(12)26)19-14(22)6-2-8-16(19)25/h3-4,9,17,23H,1-2,5-8,10-11H2,(H,21,26)
InChIKeyKRBJBOMEGXYDIZ-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.78
Rot. Bonds3

About 10-(2-hydroxyethyl)-9-(2-oxo-1H-pyridin-3-yl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione

10-(2-hydroxyethyl)-9-(2-oxo-1H-pyridin-3-yl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione (PubChem CID 171580806) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 10-(2-hydroxyethyl)-9-(2-oxo-1H-pyridin-3-yl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione.

Molecular Properties

Compound Name10-(2-hydroxyethyl)-9-(2-oxo-1H-pyridin-3-yl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
PubChem CID171580806
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name10-(2-hydroxyethyl)-9-(2-oxo-1H-pyridin-3-yl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
SMILESO=C1CCCC2=C1C(c1ccc[nH]c1=O)C1=C(CCCC1=O)N2CCO
InChIInChI=1S/C20H22N2O4/c23-11-10-22-13-5-1-7-15(24)18(13)17(12-4-3-9-21-20(12)26)19-14(22)6-2-8-16(19)25/h3-4,9,17,23H,1-2,5-8,10-11H2,(H,21,26)
InChIKeyKRBJBOMEGXYDIZ-UHFFFAOYSA-N
XLogP1.78
TPSA90.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 10-(2-hydroxyethyl)-9-(2-oxo-1H-pyridin-3-yl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione?
The IUPAC name of 10-(2-hydroxyethyl)-9-(2-oxo-1H-pyridin-3-yl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione (CID 171580806) is 10-(2-hydroxyethyl)-9-(2-oxo-1H-pyridin-3-yl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione.
What is the SMILES notation for 10-(2-hydroxyethyl)-9-(2-oxo-1H-pyridin-3-yl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione?
The canonical SMILES for 10-(2-hydroxyethyl)-9-(2-oxo-1H-pyridin-3-yl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione is O=C1CCCC2=C1C(c1ccc[nH]c1=O)C1=C(CCCC1=O)N2CCO.
What is the InChIKey of 10-(2-hydroxyethyl)-9-(2-oxo-1H-pyridin-3-yl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione?
The InChIKey is KRBJBOMEGXYDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c23-11-10-22-13-5-1-7-15(24)18(13)17(12-4-3-9-21-20(12)26)19-14(22)6-2-8-16(19)25/h3-4,9,17,23H,1-2,5-8,10-11H2,(H,21,26).
What are the key properties of 10-(2-hydroxyethyl)-9-(2-oxo-1H-pyridin-3-yl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione?
10-(2-hydroxyethyl)-9-(2-oxo-1H-pyridin-3-yl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione has a molecular weight of 354.41 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2-hydroxyethyl)-9-(2-oxo-1H-pyridin-3-yl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione is sourced from PubChem (CID 171580806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).