5-chloro-9-oxo-10H-acridine-4-carboxylic acid

C14H8ClNO3 — CID 620439

IUPAC5-chloro-9-oxo-10H-acridine-4-carboxylic acid
SMILESO=C(O)c1cccc2c(=O)c3cccc(Cl)c3[nH]c12
InChIInChI=1S/C14H8ClNO3/c15-10-6-2-4-8-12(10)16-11-7(13(8)17)3-1-5-9(11)14(18)19/h1-6H,(H,16,17)(H,18,19)
InChIKeyLSWUTHPAQMMXPG-UHFFFAOYSA-N
MW273.68 g/mol
LogP3.03
Rot. Bonds1

About 5-chloro-9-oxo-10H-acridine-4-carboxylic acid

5-chloro-9-oxo-10H-acridine-4-carboxylic acid (PubChem CID 620439) has the molecular formula C14H8ClNO3 and a molecular weight of 273.68 g/mol. Its IUPAC name is 5-chloro-9-oxo-10H-acridine-4-carboxylic acid.

Molecular Properties

Compound Name5-chloro-9-oxo-10H-acridine-4-carboxylic acid
PubChem CID620439
Molecular FormulaC14H8ClNO3
Molecular Weight273.68 g/mol
Exact Mass273.02
IUPAC Name5-chloro-9-oxo-10H-acridine-4-carboxylic acid
SMILESO=C(O)c1cccc2c(=O)c3cccc(Cl)c3[nH]c12
InChIInChI=1S/C14H8ClNO3/c15-10-6-2-4-8-12(10)16-11-7(13(8)17)3-1-5-9(11)14(18)19/h1-6H,(H,16,17)(H,18,19)
InChIKeyLSWUTHPAQMMXPG-UHFFFAOYSA-N
XLogP3.03
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.68
LogP ≤ 53.03
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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Related Compounds

7,8-dichloro-9H-carbazole-1-carboxylic acid
CID 21399926
8-chloro-2-oxo-1H-quinoline-4-carboxylic acid
CID 670543
7-bromo-9-oxo-10H-acridine-4-carboxylic acid
CID 627079
5-chloro-8-methoxy-9H-carbazole-1-carboxylic acid
CID 21399949
9-oxo-7-(trifluoromethyl)-10H-acridine-4-carboxylic acid
CID 10566636
N-(5-chloro-9-oxo-10H-acridin-4-yl)formamide
CID 168651697
3-bromo-7-chloro-1H-indole-2-carboxylic acid
CID 84810523
2-bromo-7-chloro-1H-indole-3-carboxylic acid
CID 83826113
11-chloro-10H-indolo[3,2-b]quinoline-9-carboxylic acid
CID 56651415
7-nitro-9-oxo-10H-acridine-4-carboxylic acid
CID 542089
7-chloro-3-cyclopropyl-1H-indole-2-carboxylic acid
CID 166475916
9-oxo-8-(trifluoromethyl)-10H-acridine-4-carboxylic acid
CID 45117724

Frequently Asked Questions

What is the IUPAC name of 5-chloro-9-oxo-10H-acridine-4-carboxylic acid?
The IUPAC name of 5-chloro-9-oxo-10H-acridine-4-carboxylic acid (CID 620439) is 5-chloro-9-oxo-10H-acridine-4-carboxylic acid.
What is the SMILES notation for 5-chloro-9-oxo-10H-acridine-4-carboxylic acid?
The canonical SMILES for 5-chloro-9-oxo-10H-acridine-4-carboxylic acid is O=C(O)c1cccc2c(=O)c3cccc(Cl)c3[nH]c12.
What is the InChIKey of 5-chloro-9-oxo-10H-acridine-4-carboxylic acid?
The InChIKey is LSWUTHPAQMMXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClNO3/c15-10-6-2-4-8-12(10)16-11-7(13(8)17)3-1-5-9(11)14(18)19/h1-6H,(H,16,17)(H,18,19).
What are the key properties of 5-chloro-9-oxo-10H-acridine-4-carboxylic acid?
5-chloro-9-oxo-10H-acridine-4-carboxylic acid has a molecular weight of 273.68 g/mol, XLogP of 3.03, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-9-oxo-10H-acridine-4-carboxylic acid is sourced from PubChem (CID 620439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).