N-(1,9-dioxaspiro[5.5]undecan-4-yl)-9-oxo-10H-acridine-2-carboxamide

C23H24N2O4 — CID 127984291

IUPACN-(1,9-dioxaspiro[5.5]undecan-4-yl)-9-oxo-10H-acridine-2-carboxamide
SMILESO=C(NC1CCOC2(CCOCC2)C1)c1ccc2[nH]c3ccccc3c(=O)c2c1
InChIInChI=1S/C23H24N2O4/c26-21-17-3-1-2-4-19(17)25-20-6-5-15(13-18(20)21)22(27)24-16-7-10-29-23(14-16)8-11-28-12-9-23/h1-6,13,16H,7-12,14H2,(H,24,27)(H,25,26)
InChIKeyZNXCWYJPCVJJND-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.14
Rot. Bonds2

About N-(1,9-dioxaspiro[5.5]undecan-4-yl)-9-oxo-10H-acridine-2-carboxamide

N-(1,9-dioxaspiro[5.5]undecan-4-yl)-9-oxo-10H-acridine-2-carboxamide (PubChem CID 127984291) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-(1,9-dioxaspiro[5.5]undecan-4-yl)-9-oxo-10H-acridine-2-carboxamide.

Molecular Properties

Compound NameN-(1,9-dioxaspiro[5.5]undecan-4-yl)-9-oxo-10H-acridine-2-carboxamide
PubChem CID127984291
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC NameN-(1,9-dioxaspiro[5.5]undecan-4-yl)-9-oxo-10H-acridine-2-carboxamide
SMILESO=C(NC1CCOC2(CCOCC2)C1)c1ccc2[nH]c3ccccc3c(=O)c2c1
InChIInChI=1S/C23H24N2O4/c26-21-17-3-1-2-4-19(17)25-20-6-5-15(13-18(20)21)22(27)24-16-7-10-29-23(14-16)8-11-28-12-9-23/h1-6,13,16H,7-12,14H2,(H,24,27)(H,25,26)
InChIKeyZNXCWYJPCVJJND-UHFFFAOYSA-N
XLogP3.14
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1,9-dioxaspiro[5.5]undecan-4-yl)-9-oxo-10H-acridine-2-carboxamide?
The IUPAC name of N-(1,9-dioxaspiro[5.5]undecan-4-yl)-9-oxo-10H-acridine-2-carboxamide (CID 127984291) is N-(1,9-dioxaspiro[5.5]undecan-4-yl)-9-oxo-10H-acridine-2-carboxamide.
What is the SMILES notation for N-(1,9-dioxaspiro[5.5]undecan-4-yl)-9-oxo-10H-acridine-2-carboxamide?
The canonical SMILES for N-(1,9-dioxaspiro[5.5]undecan-4-yl)-9-oxo-10H-acridine-2-carboxamide is O=C(NC1CCOC2(CCOCC2)C1)c1ccc2[nH]c3ccccc3c(=O)c2c1.
What is the InChIKey of N-(1,9-dioxaspiro[5.5]undecan-4-yl)-9-oxo-10H-acridine-2-carboxamide?
The InChIKey is ZNXCWYJPCVJJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c26-21-17-3-1-2-4-19(17)25-20-6-5-15(13-18(20)21)22(27)24-16-7-10-29-23(14-16)8-11-28-12-9-23/h1-6,13,16H,7-12,14H2,(H,24,27)(H,25,26).
What are the key properties of N-(1,9-dioxaspiro[5.5]undecan-4-yl)-9-oxo-10H-acridine-2-carboxamide?
N-(1,9-dioxaspiro[5.5]undecan-4-yl)-9-oxo-10H-acridine-2-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 3.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,9-dioxaspiro[5.5]undecan-4-yl)-9-oxo-10H-acridine-2-carboxamide is sourced from PubChem (CID 127984291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).