10-methyl-1-oxoacridine-2-carboxylic acid

C15H11NO3 — CID 56609298

IUPAC10-methyl-1-oxoacridine-2-carboxylic acid
SMILESCn1c2ccc(C(=O)O)c(=O)c-2cc2ccccc21
InChIInChI=1S/C15H11NO3/c1-16-12-5-3-2-4-9(12)8-11-13(16)7-6-10(14(11)17)15(18)19/h2-8H,1H3,(H,18,19)
InChIKeyAHLJKDIXXWNKBO-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.34
Rot. Bonds1

About 10-methyl-1-oxoacridine-2-carboxylic acid

10-methyl-1-oxoacridine-2-carboxylic acid (PubChem CID 56609298) has the molecular formula C15H11NO3 and a molecular weight of 253.26 g/mol. Its IUPAC name is 10-methyl-1-oxoacridine-2-carboxylic acid.

Molecular Properties

Compound Name10-methyl-1-oxoacridine-2-carboxylic acid
PubChem CID56609298
Molecular FormulaC15H11NO3
Molecular Weight253.26 g/mol
Exact Mass253.07
IUPAC Name10-methyl-1-oxoacridine-2-carboxylic acid
SMILESCn1c2ccc(C(=O)O)c(=O)c-2cc2ccccc21
InChIInChI=1S/C15H11NO3/c1-16-12-5-3-2-4-9(12)8-11-13(16)7-6-10(14(11)17)15(18)19/h2-8H,1H3,(H,18,19)
InChIKeyAHLJKDIXXWNKBO-UHFFFAOYSA-N
XLogP2.34
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 70488130
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CID 70564360
benzene;1-methyl-2-phenylindole
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2-chloro-10-ethylacridin-1-one
CID 19982990
2-(4-carboxy-1-methylbenzimidazol-2-yl)-1-methylbenzimidazole-4-carboxylic acid;platinum
CID 91868096
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CID 22754333
acetic acid;2-ethyl-1-methylindole
CID 70581856
2-amino-2-(1-methylindol-2-yl)acetic acid
CID 82658880
3-(1-methylindol-2-yl)-1-phenylprop-2-en-1-one
CID 118108345
2-(2-methyl-5-oxo-1,2-oxazol-3-yl)benzoic acid
CID 84724427
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CID 170895345

Frequently Asked Questions

What is the IUPAC name of 10-methyl-1-oxoacridine-2-carboxylic acid?
The IUPAC name of 10-methyl-1-oxoacridine-2-carboxylic acid (CID 56609298) is 10-methyl-1-oxoacridine-2-carboxylic acid.
What is the SMILES notation for 10-methyl-1-oxoacridine-2-carboxylic acid?
The canonical SMILES for 10-methyl-1-oxoacridine-2-carboxylic acid is Cn1c2ccc(C(=O)O)c(=O)c-2cc2ccccc21.
What is the InChIKey of 10-methyl-1-oxoacridine-2-carboxylic acid?
The InChIKey is AHLJKDIXXWNKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO3/c1-16-12-5-3-2-4-9(12)8-11-13(16)7-6-10(14(11)17)15(18)19/h2-8H,1H3,(H,18,19).
What are the key properties of 10-methyl-1-oxoacridine-2-carboxylic acid?
10-methyl-1-oxoacridine-2-carboxylic acid has a molecular weight of 253.26 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-1-oxoacridine-2-carboxylic acid is sourced from PubChem (CID 56609298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).