2,4-dimethyl-10-prop-1-ynylacridin-9-one

C18H15NO — CID 139792391

IUPAC2,4-dimethyl-10-prop-1-ynylacridin-9-one
SMILESCC#Cn1c2ccccc2c(=O)c2cc(C)cc(C)c21
InChIInChI=1S/C18H15NO/c1-4-9-19-16-8-6-5-7-14(16)18(20)15-11-12(2)10-13(3)17(15)19/h5-8,10-11H,1-3H3
InChIKeyUWQUBUOVULCGTN-UHFFFAOYSA-N
MW261.32 g/mol
LogP3.60
Rot. Bonds

About 2,4-dimethyl-10-prop-1-ynylacridin-9-one

2,4-dimethyl-10-prop-1-ynylacridin-9-one (PubChem CID 139792391) has the molecular formula C18H15NO and a molecular weight of 261.32 g/mol. Its IUPAC name is 2,4-dimethyl-10-prop-1-ynylacridin-9-one.

Molecular Properties

Compound Name2,4-dimethyl-10-prop-1-ynylacridin-9-one
PubChem CID139792391
Molecular FormulaC18H15NO
Molecular Weight261.32 g/mol
Exact Mass261.12
IUPAC Name2,4-dimethyl-10-prop-1-ynylacridin-9-one
SMILESCC#Cn1c2ccccc2c(=O)c2cc(C)cc(C)c21
InChIInChI=1S/C18H15NO/c1-4-9-19-16-8-6-5-7-14(16)18(20)15-11-12(2)10-13(3)17(15)19/h5-8,10-11H,1-3H3
InChIKeyUWQUBUOVULCGTN-UHFFFAOYSA-N
XLogP3.60
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 53.60
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

15,25-dimethyl-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-12,18,22,28-tetrone
CID 163521900
2-(4-chloro-2-methyl-9-oxoacridin-10-yl)acetic acid
CID 138657966
9-(2,4-dimethylphenyl)-1,3-dimethylcarbazole
CID 146638363
10-but-2-ynylacridin-9-one
CID 14709355
5,11,17-tris(1,3,6,8-tetramethylcarbazol-9-yl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-8,14-dione
CID 170202114
5,12-dimethylquinolino[2,3-b]acridine-7,14-dione
CID 2844779
11-fluoro-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-8,14-dione
CID 163712708
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
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
1,5-diazanonacyclo[19.11.1.15,13.02,20.04,18.06,11.025,33.027,32.017,34]tetratriaconta-2(20),3,6,8,10,13,15,17(34),18,21(33),22,24,27,29,31-pentadecaene-12,26-dione
CID 168832329
silver;1,3-bis(2,4,6-trimethylphenyl)-2H-benzo[f]benzimidazol-2-ide-4,9-dione;methane
CID 160615456
3-methyl-9-oxidocarbazole
CID 166517305

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-10-prop-1-ynylacridin-9-one?
The IUPAC name of 2,4-dimethyl-10-prop-1-ynylacridin-9-one (CID 139792391) is 2,4-dimethyl-10-prop-1-ynylacridin-9-one.
What is the SMILES notation for 2,4-dimethyl-10-prop-1-ynylacridin-9-one?
The canonical SMILES for 2,4-dimethyl-10-prop-1-ynylacridin-9-one is CC#Cn1c2ccccc2c(=O)c2cc(C)cc(C)c21.
What is the InChIKey of 2,4-dimethyl-10-prop-1-ynylacridin-9-one?
The InChIKey is UWQUBUOVULCGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO/c1-4-9-19-16-8-6-5-7-14(16)18(20)15-11-12(2)10-13(3)17(15)19/h5-8,10-11H,1-3H3.
What are the key properties of 2,4-dimethyl-10-prop-1-ynylacridin-9-one?
2,4-dimethyl-10-prop-1-ynylacridin-9-one has a molecular weight of 261.32 g/mol, XLogP of 3.60, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-10-prop-1-ynylacridin-9-one is sourced from PubChem (CID 139792391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).