acridin-9-amine;chromen-2-one;hydrochloride

C22H17ClN2O2 — CID 88505410

IUPACacridin-9-amine;chromen-2-one;hydrochloride
SMILESCl.Nc1c2ccccc2nc2ccccc12.O=c1ccc2ccccc2o1
InChIInChI=1S/C13H10N2.C9H6O2.ClH/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13;10-9-6-5-7-3-1-2-4-8(7)11-9;/h1-8H,(H2,14,15);1-6H;1H
InChIKeyJYKAAGFHPRRHSX-UHFFFAOYSA-N
MW376.84 g/mol
LogP5.18
Rot. Bonds

About acridin-9-amine;chromen-2-one;hydrochloride

acridin-9-amine;chromen-2-one;hydrochloride (PubChem CID 88505410) has the molecular formula C22H17ClN2O2 and a molecular weight of 376.84 g/mol. Its IUPAC name is acridin-9-amine;chromen-2-one;hydrochloride.

Molecular Properties

Compound Nameacridin-9-amine;chromen-2-one;hydrochloride
PubChem CID88505410
Molecular FormulaC22H17ClN2O2
Molecular Weight376.84 g/mol
Exact Mass376.10
IUPAC Nameacridin-9-amine;chromen-2-one;hydrochloride
SMILESCl.Nc1c2ccccc2nc2ccccc12.O=c1ccc2ccccc2o1
InChIInChI=1S/C13H10N2.C9H6O2.ClH/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13;10-9-6-5-7-3-1-2-4-8(7)11-9;/h1-8H,(H2,14,15);1-6H;1H
InChIKeyJYKAAGFHPRRHSX-UHFFFAOYSA-N
XLogP5.18
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.84
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amino_acridine_A(46)', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

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CID 175490612
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chromen-2-one;4,5-dihydro-1,2-oxazole
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Frequently Asked Questions

What is the IUPAC name of acridin-9-amine;chromen-2-one;hydrochloride?
The IUPAC name of acridin-9-amine;chromen-2-one;hydrochloride (CID 88505410) is acridin-9-amine;chromen-2-one;hydrochloride.
What is the SMILES notation for acridin-9-amine;chromen-2-one;hydrochloride?
The canonical SMILES for acridin-9-amine;chromen-2-one;hydrochloride is Cl.Nc1c2ccccc2nc2ccccc12.O=c1ccc2ccccc2o1.
What is the InChIKey of acridin-9-amine;chromen-2-one;hydrochloride?
The InChIKey is JYKAAGFHPRRHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2.C9H6O2.ClH/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13;10-9-6-5-7-3-1-2-4-8(7)11-9;/h1-8H,(H2,14,15);1-6H;1H.
What are the key properties of acridin-9-amine;chromen-2-one;hydrochloride?
acridin-9-amine;chromen-2-one;hydrochloride has a molecular weight of 376.84 g/mol, XLogP of 5.18, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acridin-9-amine;chromen-2-one;hydrochloride is sourced from PubChem (CID 88505410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).