10-but-2-ynylacridin-9-one

C17H13NO — CID 14709355

IUPAC10-but-2-ynylacridin-9-one
SMILESCC#CCn1c2ccccc2c(=O)c2ccccc21
InChIInChI=1S/C17H13NO/c1-2-3-12-18-15-10-6-4-8-13(15)17(19)14-9-5-7-11-16(14)18/h4-11H,12H2,1H3
InChIKeyWJHUAQDCFQKRCK-UHFFFAOYSA-N
MW247.30 g/mol
LogP3.18
Rot. Bonds1

About 10-but-2-ynylacridin-9-one

10-but-2-ynylacridin-9-one (PubChem CID 14709355) has the molecular formula C17H13NO and a molecular weight of 247.30 g/mol. Its IUPAC name is 10-but-2-ynylacridin-9-one.

Molecular Properties

Compound Name10-but-2-ynylacridin-9-one
PubChem CID14709355
Molecular FormulaC17H13NO
Molecular Weight247.30 g/mol
Exact Mass247.10
IUPAC Name10-but-2-ynylacridin-9-one
SMILESCC#CCn1c2ccccc2c(=O)c2ccccc21
InChIInChI=1S/C17H13NO/c1-2-3-12-18-15-10-6-4-8-13(15)17(19)14-9-5-7-11-16(14)18/h4-11H,12H2,1H3
InChIKeyWJHUAQDCFQKRCK-UHFFFAOYSA-N
XLogP3.18
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(2-methylpropyl)acridin-9-one
CID 59742563
10-[2-(dimethylamino)ethyl]acridin-9-one
CID 3014731
10-(3-bromo-2,2-dimethylpropyl)acridin-9-one
CID 64994942
4-methyl-10-(4-phenoxybut-2-ynyl)acridin-9-one
CID 10383439
10-[2-(ethylamino)ethyl]acridin-9-one
CID 61387070
10-(3-hydroxypropyl)acridin-9-one
CID 12677142
2-(9-oxoacridin-10-yl)acetyl chloride
CID 15839148
9-(5-carbazol-9-ylpenta-1,3-diynyl)carbazole
CID 101225046
10-(6-chlorohexyl)acridin-9-one
CID 44566069
4-(3-carbazol-9-ylprop-1-ynyl)-4-hydroxy-2,3-dimethoxycyclobut-2-en-1-one
CID 10545599
10-[(3,5-dimethoxyphenyl)methyl]acridin-9-one
CID 25141164
10-(9-ethylcarbazol-3-yl)acridin-9-one
CID 163562999

Frequently Asked Questions

What is the IUPAC name of 10-but-2-ynylacridin-9-one?
The IUPAC name of 10-but-2-ynylacridin-9-one (CID 14709355) is 10-but-2-ynylacridin-9-one.
What is the SMILES notation for 10-but-2-ynylacridin-9-one?
The canonical SMILES for 10-but-2-ynylacridin-9-one is CC#CCn1c2ccccc2c(=O)c2ccccc21.
What is the InChIKey of 10-but-2-ynylacridin-9-one?
The InChIKey is WJHUAQDCFQKRCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO/c1-2-3-12-18-15-10-6-4-8-13(15)17(19)14-9-5-7-11-16(14)18/h4-11H,12H2,1H3.
What are the key properties of 10-but-2-ynylacridin-9-one?
10-but-2-ynylacridin-9-one has a molecular weight of 247.30 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-but-2-ynylacridin-9-one is sourced from PubChem (CID 14709355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).