4-methyl-10-(4-phenoxybut-2-ynyl)acridin-9-one

C24H19NO2 — CID 10383439

IUPAC4-methyl-10-(4-phenoxybut-2-ynyl)acridin-9-one
SMILESCc1cccc2c(=O)c3ccccc3n(CC#CCOc3ccccc3)c12
InChIInChI=1S/C24H19NO2/c1-18-10-9-14-21-23(18)25(22-15-6-5-13-20(22)24(21)26)16-7-8-17-27-19-11-3-2-4-12-19/h2-6,9-15H,16-17H2,1H3
InChIKeyRVKNYAOREQGBCV-UHFFFAOYSA-N
MW353.42 g/mol
LogP4.55
Rot. Bonds3

About 4-methyl-10-(4-phenoxybut-2-ynyl)acridin-9-one

4-methyl-10-(4-phenoxybut-2-ynyl)acridin-9-one (PubChem CID 10383439) has the molecular formula C24H19NO2 and a molecular weight of 353.42 g/mol. Its IUPAC name is 4-methyl-10-(4-phenoxybut-2-ynyl)acridin-9-one.

Molecular Properties

Compound Name4-methyl-10-(4-phenoxybut-2-ynyl)acridin-9-one
PubChem CID10383439
Molecular FormulaC24H19NO2
Molecular Weight353.42 g/mol
Exact Mass353.14
IUPAC Name4-methyl-10-(4-phenoxybut-2-ynyl)acridin-9-one
SMILESCc1cccc2c(=O)c3ccccc3n(CC#CCOc3ccccc3)c12
InChIInChI=1S/C24H19NO2/c1-18-10-9-14-21-23(18)25(22-15-6-5-13-20(22)24(21)26)16-7-8-17-27-19-11-3-2-4-12-19/h2-6,9-15H,16-17H2,1H3
InChIKeyRVKNYAOREQGBCV-UHFFFAOYSA-N
XLogP4.55
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

10-but-2-ynylacridin-9-one
CID 14709355
phenyl 2-(9-oxoacridin-10-yl)acetate
CID 3113744
2-(9-oxoacridin-10-yl)-N-(2-phenoxyethyl)acetamide
CID 26024228
10-(2-methylpropyl)acridin-9-one
CID 59742563
2-chloro-10-(3-phenoxypropyl)acridin-9-one
CID 139792441
15-methyl-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-8-one
CID 12539302
(2-methylphenyl)methyl 2-(9-oxoacridin-10-yl)acetate
CID 16612647
1,3-dimethyl-2-(2-phenoxyethoxy)benzene
CID 78906435
2-[4-methyl-9-oxo-3-(2-phenylethyl)acridin-10-yl]acetic acid
CID 138658257
10-[(3,5-dimethoxyphenyl)methyl]acridin-9-one
CID 25141164
5-benzyl-10-methylphenanthridin-6-one
CID 71505961
10-benzyl-3-methoxyacridin-9-one
CID 12751573

Frequently Asked Questions

What is the IUPAC name of 4-methyl-10-(4-phenoxybut-2-ynyl)acridin-9-one?
The IUPAC name of 4-methyl-10-(4-phenoxybut-2-ynyl)acridin-9-one (CID 10383439) is 4-methyl-10-(4-phenoxybut-2-ynyl)acridin-9-one.
What is the SMILES notation for 4-methyl-10-(4-phenoxybut-2-ynyl)acridin-9-one?
The canonical SMILES for 4-methyl-10-(4-phenoxybut-2-ynyl)acridin-9-one is Cc1cccc2c(=O)c3ccccc3n(CC#CCOc3ccccc3)c12.
What is the InChIKey of 4-methyl-10-(4-phenoxybut-2-ynyl)acridin-9-one?
The InChIKey is RVKNYAOREQGBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO2/c1-18-10-9-14-21-23(18)25(22-15-6-5-13-20(22)24(21)26)16-7-8-17-27-19-11-3-2-4-12-19/h2-6,9-15H,16-17H2,1H3.
What are the key properties of 4-methyl-10-(4-phenoxybut-2-ynyl)acridin-9-one?
4-methyl-10-(4-phenoxybut-2-ynyl)acridin-9-one has a molecular weight of 353.42 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-10-(4-phenoxybut-2-ynyl)acridin-9-one is sourced from PubChem (CID 10383439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).