4-tert-butyl-5-methoxy-10H-acridin-9-one

C18H19NO2 — CID 130376866

IUPAC4-tert-butyl-5-methoxy-10H-acridin-9-one
SMILESCOc1cccc2c(=O)c3cccc(C(C)(C)C)c3[nH]c12
InChIInChI=1S/C18H19NO2/c1-18(2,3)13-9-5-7-11-15(13)19-16-12(17(11)20)8-6-10-14(16)21-4/h5-10H,1-4H3,(H,19,20)
InChIKeyNDWPIVQOWNBIAP-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.99
Rot. Bonds1

About 4-tert-butyl-5-methoxy-10H-acridin-9-one

4-tert-butyl-5-methoxy-10H-acridin-9-one (PubChem CID 130376866) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-tert-butyl-5-methoxy-10H-acridin-9-one.

Molecular Properties

Compound Name4-tert-butyl-5-methoxy-10H-acridin-9-one
PubChem CID130376866
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name4-tert-butyl-5-methoxy-10H-acridin-9-one
SMILESCOc1cccc2c(=O)c3cccc(C(C)(C)C)c3[nH]c12
InChIInChI=1S/C18H19NO2/c1-18(2,3)13-9-5-7-11-15(13)19-16-12(17(11)20)8-6-10-14(16)21-4/h5-10H,1-4H3,(H,19,20)
InChIKeyNDWPIVQOWNBIAP-UHFFFAOYSA-N
XLogP3.99
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-tert-butyl-8-methoxy-1H-quinolin-4-one
CID 10799531
8-methoxy-3-methyl-2-phenyl-1H-quinolin-4-one
CID 104845886
1-hydroxy-8-methoxy-4-oxo-9H-pyrrolo[2,3-b]quinoline-2-carbonitrile
CID 140555034
3-amino-8-methoxy-1H-quinolin-4-one
CID 115018054
4-amino-8-methoxy-1H-quinazolin-2-one
CID 25152155
5-methoxy-3,3-dimethyl-1,2,4,10-tetrahydroacridin-9-one
CID 53362208
8-methoxy-2-propan-2-yl-1H-quinolin-4-one
CID 43667995
4-amino-5-methoxy-10H-acridine-9-thione
CID 101038754
7-methoxy-2-methyl-1H-indole-3-carboxylic acid
CID 65335303
7-methoxy-1H-2,1-benzoxazol-3-one
CID 105432561
7-methoxy-3-(2-methoxyphenyl)-1H-benzimidazol-2-one
CID 19771132
N-(4-chloro-2-pyridinyl)-5-methoxy-9-oxo-10H-acridine-4-carboxamide
CID 46202553

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-5-methoxy-10H-acridin-9-one?
The IUPAC name of 4-tert-butyl-5-methoxy-10H-acridin-9-one (CID 130376866) is 4-tert-butyl-5-methoxy-10H-acridin-9-one.
What is the SMILES notation for 4-tert-butyl-5-methoxy-10H-acridin-9-one?
The canonical SMILES for 4-tert-butyl-5-methoxy-10H-acridin-9-one is COc1cccc2c(=O)c3cccc(C(C)(C)C)c3[nH]c12.
What is the InChIKey of 4-tert-butyl-5-methoxy-10H-acridin-9-one?
The InChIKey is NDWPIVQOWNBIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-18(2,3)13-9-5-7-11-15(13)19-16-12(17(11)20)8-6-10-14(16)21-4/h5-10H,1-4H3,(H,19,20).
What are the key properties of 4-tert-butyl-5-methoxy-10H-acridin-9-one?
4-tert-butyl-5-methoxy-10H-acridin-9-one has a molecular weight of 281.36 g/mol, XLogP of 3.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-5-methoxy-10H-acridin-9-one is sourced from PubChem (CID 130376866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).