2-[1,8-dioxo-9-(2-oxo-1H-pyridin-3-yl)-3,4,5,6,7,9-hexahydro-2H-acridin-10-yl]acetic acid

C20H20N2O5 — CID 174217593

IUPAC2-[1,8-dioxo-9-(2-oxo-1H-pyridin-3-yl)-3,4,5,6,7,9-hexahydro-2H-acridin-10-yl]acetic acid
SMILESO=C(O)CN1C2=C(C(=O)CCC2)C(c2ccc[nH]c2=O)C2=C1CCCC2=O
InChIInChI=1S/C20H20N2O5/c23-14-7-1-5-12-18(14)17(11-4-3-9-21-20(11)27)19-13(6-2-8-15(19)24)22(12)10-16(25)26/h3-4,9,17H,1-2,5-8,10H2,(H,21,27)(H,25,26)
InChIKeyOBBXPHJROYBZCV-UHFFFAOYSA-N
MW368.39 g/mol
LogP1.87
Rot. Bonds3

About 2-[1,8-dioxo-9-(2-oxo-1H-pyridin-3-yl)-3,4,5,6,7,9-hexahydro-2H-acridin-10-yl]acetic acid

2-[1,8-dioxo-9-(2-oxo-1H-pyridin-3-yl)-3,4,5,6,7,9-hexahydro-2H-acridin-10-yl]acetic acid (PubChem CID 174217593) has the molecular formula C20H20N2O5 and a molecular weight of 368.39 g/mol. Its IUPAC name is 2-[1,8-dioxo-9-(2-oxo-1H-pyridin-3-yl)-3,4,5,6,7,9-hexahydro-2H-acridin-10-yl]acetic acid.

Molecular Properties

Compound Name2-[1,8-dioxo-9-(2-oxo-1H-pyridin-3-yl)-3,4,5,6,7,9-hexahydro-2H-acridin-10-yl]acetic acid
PubChem CID174217593
Molecular FormulaC20H20N2O5
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC Name2-[1,8-dioxo-9-(2-oxo-1H-pyridin-3-yl)-3,4,5,6,7,9-hexahydro-2H-acridin-10-yl]acetic acid
SMILESO=C(O)CN1C2=C(C(=O)CCC2)C(c2ccc[nH]c2=O)C2=C1CCCC2=O
InChIInChI=1S/C20H20N2O5/c23-14-7-1-5-12-18(14)17(11-4-3-9-21-20(11)27)19-13(6-2-8-15(19)24)22(12)10-16(25)26/h3-4,9,17H,1-2,5-8,10H2,(H,21,27)(H,25,26)
InChIKeyOBBXPHJROYBZCV-UHFFFAOYSA-N
XLogP1.87
TPSA107.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1,8-dioxo-9-(2-oxo-1H-pyridin-3-yl)-3,4,5,6,7,9-hexahydro-2H-acridin-10-yl]acetic acid?
The IUPAC name of 2-[1,8-dioxo-9-(2-oxo-1H-pyridin-3-yl)-3,4,5,6,7,9-hexahydro-2H-acridin-10-yl]acetic acid (CID 174217593) is 2-[1,8-dioxo-9-(2-oxo-1H-pyridin-3-yl)-3,4,5,6,7,9-hexahydro-2H-acridin-10-yl]acetic acid.
What is the SMILES notation for 2-[1,8-dioxo-9-(2-oxo-1H-pyridin-3-yl)-3,4,5,6,7,9-hexahydro-2H-acridin-10-yl]acetic acid?
The canonical SMILES for 2-[1,8-dioxo-9-(2-oxo-1H-pyridin-3-yl)-3,4,5,6,7,9-hexahydro-2H-acridin-10-yl]acetic acid is O=C(O)CN1C2=C(C(=O)CCC2)C(c2ccc[nH]c2=O)C2=C1CCCC2=O.
What is the InChIKey of 2-[1,8-dioxo-9-(2-oxo-1H-pyridin-3-yl)-3,4,5,6,7,9-hexahydro-2H-acridin-10-yl]acetic acid?
The InChIKey is OBBXPHJROYBZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5/c23-14-7-1-5-12-18(14)17(11-4-3-9-21-20(11)27)19-13(6-2-8-15(19)24)22(12)10-16(25)26/h3-4,9,17H,1-2,5-8,10H2,(H,21,27)(H,25,26).
What are the key properties of 2-[1,8-dioxo-9-(2-oxo-1H-pyridin-3-yl)-3,4,5,6,7,9-hexahydro-2H-acridin-10-yl]acetic acid?
2-[1,8-dioxo-9-(2-oxo-1H-pyridin-3-yl)-3,4,5,6,7,9-hexahydro-2H-acridin-10-yl]acetic acid has a molecular weight of 368.39 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,8-dioxo-9-(2-oxo-1H-pyridin-3-yl)-3,4,5,6,7,9-hexahydro-2H-acridin-10-yl]acetic acid is sourced from PubChem (CID 174217593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).