5-methyl-9-oxo-10H-acridine-4-carboxamide

C15H12N2O2 — CID 23191611

IUPAC5-methyl-9-oxo-10H-acridine-4-carboxamide
SMILESCc1cccc2c(=O)c3cccc(C(N)=O)c3[nH]c12
InChIInChI=1S/C15H12N2O2/c1-8-4-2-5-9-12(8)17-13-10(14(9)18)6-3-7-11(13)15(16)19/h2-7H,1H3,(H2,16,19)(H,17,18)
InChIKeyXRBCKNGUORSKEL-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.09
Rot. Bonds1

About 5-methyl-9-oxo-10H-acridine-4-carboxamide

5-methyl-9-oxo-10H-acridine-4-carboxamide (PubChem CID 23191611) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 5-methyl-9-oxo-10H-acridine-4-carboxamide.

Molecular Properties

Compound Name5-methyl-9-oxo-10H-acridine-4-carboxamide
PubChem CID23191611
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name5-methyl-9-oxo-10H-acridine-4-carboxamide
SMILESCc1cccc2c(=O)c3cccc(C(N)=O)c3[nH]c12
InChIInChI=1S/C15H12N2O2/c1-8-4-2-5-9-12(8)17-13-10(14(9)18)6-3-7-11(13)15(16)19/h2-7H,1H3,(H2,16,19)(H,17,18)
InChIKeyXRBCKNGUORSKEL-UHFFFAOYSA-N
XLogP2.09
TPSA75.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-9-oxo-10H-acridine-4-carboxamide?
The IUPAC name of 5-methyl-9-oxo-10H-acridine-4-carboxamide (CID 23191611) is 5-methyl-9-oxo-10H-acridine-4-carboxamide.
What is the SMILES notation for 5-methyl-9-oxo-10H-acridine-4-carboxamide?
The canonical SMILES for 5-methyl-9-oxo-10H-acridine-4-carboxamide is Cc1cccc2c(=O)c3cccc(C(N)=O)c3[nH]c12.
What is the InChIKey of 5-methyl-9-oxo-10H-acridine-4-carboxamide?
The InChIKey is XRBCKNGUORSKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c1-8-4-2-5-9-12(8)17-13-10(14(9)18)6-3-7-11(13)15(16)19/h2-7H,1H3,(H2,16,19)(H,17,18).
What are the key properties of 5-methyl-9-oxo-10H-acridine-4-carboxamide?
5-methyl-9-oxo-10H-acridine-4-carboxamide has a molecular weight of 252.27 g/mol, XLogP of 2.09, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-9-oxo-10H-acridine-4-carboxamide is sourced from PubChem (CID 23191611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).