9-(3-ethoxy-4-hydroxy-5-nitrophenyl)-10-propyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione

C24H28N2O6 — CID 126050295

IUPAC9-(3-ethoxy-4-hydroxy-5-nitrophenyl)-10-propyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
SMILESCCCN1C2=C(C(=O)CCC2)C(c2cc(OCC)c(O)c([N+](=O)[O-])c2)C2=C1CCCC2=O
InChIInChI=1S/C24H28N2O6/c1-3-11-25-15-7-5-9-18(27)22(15)21(23-16(25)8-6-10-19(23)28)14-12-17(26(30)31)24(29)20(13-14)32-4-2/h12-13,21,29H,3-11H2,1-2H3
InChIKeyFPYGPFRFMOBIKP-UHFFFAOYSA-N
MW440.50 g/mol
LogP4.52
Rot. Bonds6

About 9-(3-ethoxy-4-hydroxy-5-nitrophenyl)-10-propyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione

9-(3-ethoxy-4-hydroxy-5-nitrophenyl)-10-propyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione (PubChem CID 126050295) has the molecular formula C24H28N2O6 and a molecular weight of 440.50 g/mol. Its IUPAC name is 9-(3-ethoxy-4-hydroxy-5-nitrophenyl)-10-propyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione.

Molecular Properties

Compound Name9-(3-ethoxy-4-hydroxy-5-nitrophenyl)-10-propyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
PubChem CID126050295
Molecular FormulaC24H28N2O6
Molecular Weight440.50 g/mol
Exact Mass440.19
IUPAC Name9-(3-ethoxy-4-hydroxy-5-nitrophenyl)-10-propyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
SMILESCCCN1C2=C(C(=O)CCC2)C(c2cc(OCC)c(O)c([N+](=O)[O-])c2)C2=C1CCCC2=O
InChIInChI=1S/C24H28N2O6/c1-3-11-25-15-7-5-9-18(27)22(15)21(23-16(25)8-6-10-19(23)28)14-12-17(26(30)31)24(29)20(13-14)32-4-2/h12-13,21,29H,3-11H2,1-2H3
InChIKeyFPYGPFRFMOBIKP-UHFFFAOYSA-N
XLogP4.52
TPSA109.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

9-(3-ethoxy-4-hydroxy-5-nitrophenyl)-10-ethyl-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
CID 126039410
9-(3-ethoxy-4-hydroxy-5-nitrophenyl)-3,3,6,6-tetramethyl-10-(2-phenylethyl)-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
CID 126037052
4-(3,4-diethoxy-5-nitrophenyl)-1-propyl-2-sulfanylidene-4,6,7,8-tetrahydro-3H-quinazolin-5-one
CID 110528139
9-(3-chloro-5-ethoxy-4-hydroxyphenyl)-10-methyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
CID 647395
4-(3-ethoxy-5-nitro-4-propoxyphenyl)-1-propyl-2-sulfanylidene-4,6,7,8-tetrahydro-3H-quinazolin-5-one
CID 110528197
3-[9-[3-chloro-4-(2,4-dinitrophenoxy)-5-ethoxyphenyl]-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-10-yl]propanoic acid
CID 126097110
9-[3-bromo-4-(2,4-dinitrophenoxy)-5-ethoxyphenyl]-10-ethyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
CID 126083562
3-[9-(3-ethoxy-4-methoxyphenyl)-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-10-yl]propanoic acid
CID 126080190
9-(4-hydroxy-3-methoxy-5-nitrophenyl)-10-(2-methoxyethyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
CID 126037798
9-(3,5-dichloro-2-hydroxyphenyl)-10-propyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
CID 126052762
2-[9-[4-(carboxymethoxy)-3-ethoxyphenyl]-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-10-yl]acetic acid
CID 126050827
3-[9-(3-ethoxy-5-iodo-4-phenylmethoxyphenyl)-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-10-yl]propanoic acid
CID 126073543

Frequently Asked Questions

What is the IUPAC name of 9-(3-ethoxy-4-hydroxy-5-nitrophenyl)-10-propyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione?
The IUPAC name of 9-(3-ethoxy-4-hydroxy-5-nitrophenyl)-10-propyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione (CID 126050295) is 9-(3-ethoxy-4-hydroxy-5-nitrophenyl)-10-propyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione.
What is the SMILES notation for 9-(3-ethoxy-4-hydroxy-5-nitrophenyl)-10-propyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione?
The canonical SMILES for 9-(3-ethoxy-4-hydroxy-5-nitrophenyl)-10-propyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione is CCCN1C2=C(C(=O)CCC2)C(c2cc(OCC)c(O)c([N+](=O)[O-])c2)C2=C1CCCC2=O.
What is the InChIKey of 9-(3-ethoxy-4-hydroxy-5-nitrophenyl)-10-propyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione?
The InChIKey is FPYGPFRFMOBIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O6/c1-3-11-25-15-7-5-9-18(27)22(15)21(23-16(25)8-6-10-19(23)28)14-12-17(26(30)31)24(29)20(13-14)32-4-2/h12-13,21,29H,3-11H2,1-2H3.
What are the key properties of 9-(3-ethoxy-4-hydroxy-5-nitrophenyl)-10-propyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione?
9-(3-ethoxy-4-hydroxy-5-nitrophenyl)-10-propyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione has a molecular weight of 440.50 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-ethoxy-4-hydroxy-5-nitrophenyl)-10-propyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione is sourced from PubChem (CID 126050295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).