4-[2-(10-methyl-9-oxoacridin-3-yl)ethynyl]benzonitrile

C23H14N2O — CID 25011614

IUPAC4-[2-(10-methyl-9-oxoacridin-3-yl)ethynyl]benzonitrile
SMILESCn1c2ccccc2c(=O)c2ccc(C#Cc3ccc(C#N)cc3)cc21
InChIInChI=1S/C23H14N2O/c1-25-21-5-3-2-4-19(21)23(26)20-13-12-17(14-22(20)25)9-6-16-7-10-18(15-24)11-8-16/h2-5,7-8,10-14H,1H3
InChIKeyRYVKVUCWGMHHCZ-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.96
Rot. Bonds

About 4-[2-(10-methyl-9-oxoacridin-3-yl)ethynyl]benzonitrile

4-[2-(10-methyl-9-oxoacridin-3-yl)ethynyl]benzonitrile (PubChem CID 25011614) has the molecular formula C23H14N2O and a molecular weight of 334.38 g/mol. Its IUPAC name is 4-[2-(10-methyl-9-oxoacridin-3-yl)ethynyl]benzonitrile.

Molecular Properties

Compound Name4-[2-(10-methyl-9-oxoacridin-3-yl)ethynyl]benzonitrile
PubChem CID25011614
Molecular FormulaC23H14N2O
Molecular Weight334.38 g/mol
Exact Mass334.11
IUPAC Name4-[2-(10-methyl-9-oxoacridin-3-yl)ethynyl]benzonitrile
SMILESCn1c2ccccc2c(=O)c2ccc(C#Cc3ccc(C#N)cc3)cc21
InChIInChI=1S/C23H14N2O/c1-25-21-5-3-2-4-19(21)23(26)20-13-12-17(14-22(20)25)9-6-16-7-10-18(15-24)11-8-16/h2-5,7-8,10-14H,1H3
InChIKeyRYVKVUCWGMHHCZ-UHFFFAOYSA-N
XLogP3.96
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.96
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

5,12-dimethylquinolino[2,3-b]acridine-7,14-dione
CID 2844779
8-methyl-8-azapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2,4,6,9,11,13,15,17,19,22,24-dodecaen-21-one
CID 167125984
10-methyl-2-phenylacridin-9-one
CID 18533849
7-methoxy-9-methylcarbazole-2-carbonitrile
CID 10847401
9-methyl-2-[2-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]ethynyl]carbazole
CID 58435122
12,18,22,28-tetraoxo-1,5-diazanonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13(36),14,16,19,23,25,27(35),29,31,33-pentadecaene-15,25-dicarbonitrile
CID 166779752
3-(1,3-benzodioxol-5-yl)-10-methylacridin-9-one
CID 24818813
5-methyl-6-oxo-12-phenylindolo[1,2-c]quinazoline-10-carbonitrile
CID 132537975
10-methyl-3-(1,3-thiazol-2-yl)acridin-9-one
CID 139804736
6-methylindolo[3,2-b]quinoxaline-3-carbonitrile
CID 23354049
bis(2-ethynyl-9-methylcarbazole);gold;N,N,N',N'-tetramethylmethanediamine
CID 164789918
2-formyl-1,3-dimethylindole-6-carbonitrile
CID 105451422

Frequently Asked Questions

What is the IUPAC name of 4-[2-(10-methyl-9-oxoacridin-3-yl)ethynyl]benzonitrile?
The IUPAC name of 4-[2-(10-methyl-9-oxoacridin-3-yl)ethynyl]benzonitrile (CID 25011614) is 4-[2-(10-methyl-9-oxoacridin-3-yl)ethynyl]benzonitrile.
What is the SMILES notation for 4-[2-(10-methyl-9-oxoacridin-3-yl)ethynyl]benzonitrile?
The canonical SMILES for 4-[2-(10-methyl-9-oxoacridin-3-yl)ethynyl]benzonitrile is Cn1c2ccccc2c(=O)c2ccc(C#Cc3ccc(C#N)cc3)cc21.
What is the InChIKey of 4-[2-(10-methyl-9-oxoacridin-3-yl)ethynyl]benzonitrile?
The InChIKey is RYVKVUCWGMHHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14N2O/c1-25-21-5-3-2-4-19(21)23(26)20-13-12-17(14-22(20)25)9-6-16-7-10-18(15-24)11-8-16/h2-5,7-8,10-14H,1H3.
What are the key properties of 4-[2-(10-methyl-9-oxoacridin-3-yl)ethynyl]benzonitrile?
4-[2-(10-methyl-9-oxoacridin-3-yl)ethynyl]benzonitrile has a molecular weight of 334.38 g/mol, XLogP of 3.96, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(10-methyl-9-oxoacridin-3-yl)ethynyl]benzonitrile is sourced from PubChem (CID 25011614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).