9,10-dihydroacridin-9-amine;1-(2-methylquinolin-3-yl)ethanone

C25H23N3O — CID 21227364

IUPAC9,10-dihydroacridin-9-amine;1-(2-methylquinolin-3-yl)ethanone
SMILESCC(=O)c1cc2ccccc2nc1C.NC1c2ccccc2Nc2ccccc21
InChIInChI=1S/C13H12N2.C12H11NO/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13;1-8-11(9(2)14)7-10-5-3-4-6-12(10)13-8/h1-8,13,15H,14H2;3-7H,1-2H3
InChIKeyOUBNOYJWIAIHSD-UHFFFAOYSA-N
MW381.48 g/mol
LogP5.54
Rot. Bonds1

About 9,10-dihydroacridin-9-amine;1-(2-methylquinolin-3-yl)ethanone

9,10-dihydroacridin-9-amine;1-(2-methylquinolin-3-yl)ethanone (PubChem CID 21227364) has the molecular formula C25H23N3O and a molecular weight of 381.48 g/mol. Its IUPAC name is 9,10-dihydroacridin-9-amine;1-(2-methylquinolin-3-yl)ethanone.

Molecular Properties

Compound Name9,10-dihydroacridin-9-amine;1-(2-methylquinolin-3-yl)ethanone
PubChem CID21227364
Molecular FormulaC25H23N3O
Molecular Weight381.48 g/mol
Exact Mass381.18
IUPAC Name9,10-dihydroacridin-9-amine;1-(2-methylquinolin-3-yl)ethanone
SMILESCC(=O)c1cc2ccccc2nc1C.NC1c2ccccc2Nc2ccccc21
InChIInChI=1S/C13H12N2.C12H11NO/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13;1-8-11(9(2)14)7-10-5-3-4-6-12(10)13-8/h1-8,13,15H,14H2;3-7H,1-2H3
InChIKeyOUBNOYJWIAIHSD-UHFFFAOYSA-N
XLogP5.54
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.48
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9,10-dihydroacridin-9-amine;1-(2-methylquinolin-3-yl)ethanone?
The IUPAC name of 9,10-dihydroacridin-9-amine;1-(2-methylquinolin-3-yl)ethanone (CID 21227364) is 9,10-dihydroacridin-9-amine;1-(2-methylquinolin-3-yl)ethanone.
What is the SMILES notation for 9,10-dihydroacridin-9-amine;1-(2-methylquinolin-3-yl)ethanone?
The canonical SMILES for 9,10-dihydroacridin-9-amine;1-(2-methylquinolin-3-yl)ethanone is CC(=O)c1cc2ccccc2nc1C.NC1c2ccccc2Nc2ccccc21.
What is the InChIKey of 9,10-dihydroacridin-9-amine;1-(2-methylquinolin-3-yl)ethanone?
The InChIKey is OUBNOYJWIAIHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2.C12H11NO/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13;1-8-11(9(2)14)7-10-5-3-4-6-12(10)13-8/h1-8,13,15H,14H2;3-7H,1-2H3.
What are the key properties of 9,10-dihydroacridin-9-amine;1-(2-methylquinolin-3-yl)ethanone?
9,10-dihydroacridin-9-amine;1-(2-methylquinolin-3-yl)ethanone has a molecular weight of 381.48 g/mol, XLogP of 5.54, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dihydroacridin-9-amine;1-(2-methylquinolin-3-yl)ethanone is sourced from PubChem (CID 21227364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).