4-amino-5-methoxy-10H-acridin-9-one

C14H12N2O2 — CID 5180537

IUPAC4-amino-5-methoxy-10H-acridin-9-one
SMILESCOc1cccc2c(=O)c3cccc(N)c3[nH]c12
InChIInChI=1S/C14H12N2O2/c1-18-11-7-3-5-9-13(11)16-12-8(14(9)17)4-2-6-10(12)15/h2-7H,15H2,1H3,(H,16,17)
InChIKeyBCNHTZRTLWNPMJ-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.27
Rot. Bonds1

About 4-amino-5-methoxy-10H-acridin-9-one

4-amino-5-methoxy-10H-acridin-9-one (PubChem CID 5180537) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 4-amino-5-methoxy-10H-acridin-9-one.

Molecular Properties

Compound Name4-amino-5-methoxy-10H-acridin-9-one
PubChem CID5180537
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name4-amino-5-methoxy-10H-acridin-9-one
SMILESCOc1cccc2c(=O)c3cccc(N)c3[nH]c12
InChIInChI=1S/C14H12N2O2/c1-18-11-7-3-5-9-13(11)16-12-8(14(9)17)4-2-6-10(12)15/h2-7H,15H2,1H3,(H,16,17)
InChIKeyBCNHTZRTLWNPMJ-UHFFFAOYSA-N
XLogP2.27
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-methoxy-10H-acridin-9-one?
The IUPAC name of 4-amino-5-methoxy-10H-acridin-9-one (CID 5180537) is 4-amino-5-methoxy-10H-acridin-9-one.
What is the SMILES notation for 4-amino-5-methoxy-10H-acridin-9-one?
The canonical SMILES for 4-amino-5-methoxy-10H-acridin-9-one is COc1cccc2c(=O)c3cccc(N)c3[nH]c12.
What is the InChIKey of 4-amino-5-methoxy-10H-acridin-9-one?
The InChIKey is BCNHTZRTLWNPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c1-18-11-7-3-5-9-13(11)16-12-8(14(9)17)4-2-6-10(12)15/h2-7H,15H2,1H3,(H,16,17).
What are the key properties of 4-amino-5-methoxy-10H-acridin-9-one?
4-amino-5-methoxy-10H-acridin-9-one has a molecular weight of 240.26 g/mol, XLogP of 2.27, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-methoxy-10H-acridin-9-one is sourced from PubChem (CID 5180537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).