2-(5-chloro-3-methyl-9-oxoacridin-10-yl)acetic acid

C16H12ClNO3 — CID 138658212

IUPAC2-(5-chloro-3-methyl-9-oxoacridin-10-yl)acetic acid
SMILESCc1ccc2c(=O)c3cccc(Cl)c3n(CC(=O)O)c2c1
InChIInChI=1S/C16H12ClNO3/c1-9-5-6-10-13(7-9)18(8-14(19)20)15-11(16(10)21)3-2-4-12(15)17/h2-7H,8H2,1H3,(H,19,20)
InChIKeyQNQFNMPBXOVQGB-UHFFFAOYSA-N
MW301.73 g/mol
LogP3.20
Rot. Bonds2

About 2-(5-chloro-3-methyl-9-oxoacridin-10-yl)acetic acid

2-(5-chloro-3-methyl-9-oxoacridin-10-yl)acetic acid (PubChem CID 138658212) has the molecular formula C16H12ClNO3 and a molecular weight of 301.73 g/mol. Its IUPAC name is 2-(5-chloro-3-methyl-9-oxoacridin-10-yl)acetic acid.

Molecular Properties

Compound Name2-(5-chloro-3-methyl-9-oxoacridin-10-yl)acetic acid
PubChem CID138658212
Molecular FormulaC16H12ClNO3
Molecular Weight301.73 g/mol
Exact Mass301.05
IUPAC Name2-(5-chloro-3-methyl-9-oxoacridin-10-yl)acetic acid
SMILESCc1ccc2c(=O)c3cccc(Cl)c3n(CC(=O)O)c2c1
InChIInChI=1S/C16H12ClNO3/c1-9-5-6-10-13(7-9)18(8-14(19)20)15-11(16(10)21)3-2-4-12(15)17/h2-7H,8H2,1H3,(H,19,20)
InChIKeyQNQFNMPBXOVQGB-UHFFFAOYSA-N
XLogP3.20
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.73
LogP ≤ 53.20
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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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-3-methyl-9-oxoacridin-10-yl)acetic acid?
The IUPAC name of 2-(5-chloro-3-methyl-9-oxoacridin-10-yl)acetic acid (CID 138658212) is 2-(5-chloro-3-methyl-9-oxoacridin-10-yl)acetic acid.
What is the SMILES notation for 2-(5-chloro-3-methyl-9-oxoacridin-10-yl)acetic acid?
The canonical SMILES for 2-(5-chloro-3-methyl-9-oxoacridin-10-yl)acetic acid is Cc1ccc2c(=O)c3cccc(Cl)c3n(CC(=O)O)c2c1.
What is the InChIKey of 2-(5-chloro-3-methyl-9-oxoacridin-10-yl)acetic acid?
The InChIKey is QNQFNMPBXOVQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO3/c1-9-5-6-10-13(7-9)18(8-14(19)20)15-11(16(10)21)3-2-4-12(15)17/h2-7H,8H2,1H3,(H,19,20).
What are the key properties of 2-(5-chloro-3-methyl-9-oxoacridin-10-yl)acetic acid?
2-(5-chloro-3-methyl-9-oxoacridin-10-yl)acetic acid has a molecular weight of 301.73 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-3-methyl-9-oxoacridin-10-yl)acetic acid is sourced from PubChem (CID 138658212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).