benzo[a]acridine-12-carboxylic acid

C18H11NO2 — CID 54569893

IUPACbenzo[a]acridine-12-carboxylic acid
SMILESO=C(O)c1c2ccccc2nc2ccc3ccccc3c12
InChIInChI=1S/C18H11NO2/c20-18(21)17-13-7-3-4-8-14(13)19-15-10-9-11-5-1-2-6-12(11)16(15)17/h1-10H,(H,20,21)
InChIKeyZWMSSTRKOWIKAC-UHFFFAOYSA-N
MW273.29 g/mol
LogP4.24
Rot. Bonds1

About benzo[a]acridine-12-carboxylic acid

benzo[a]acridine-12-carboxylic acid (PubChem CID 54569893) has the molecular formula C18H11NO2 and a molecular weight of 273.29 g/mol. Its IUPAC name is benzo[a]acridine-12-carboxylic acid.

Molecular Properties

Compound Namebenzo[a]acridine-12-carboxylic acid
PubChem CID54569893
Molecular FormulaC18H11NO2
Molecular Weight273.29 g/mol
Exact Mass273.08
IUPAC Namebenzo[a]acridine-12-carboxylic acid
SMILESO=C(O)c1c2ccccc2nc2ccc3ccccc3c12
InChIInChI=1S/C18H11NO2/c20-18(21)17-13-7-3-4-8-14(13)19-15-10-9-11-5-1-2-6-12(11)16(15)17/h1-10H,(H,20,21)
InChIKeyZWMSSTRKOWIKAC-UHFFFAOYSA-N
XLogP4.24
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of benzo[a]acridine-12-carboxylic acid?
The IUPAC name of benzo[a]acridine-12-carboxylic acid (CID 54569893) is benzo[a]acridine-12-carboxylic acid.
What is the SMILES notation for benzo[a]acridine-12-carboxylic acid?
The canonical SMILES for benzo[a]acridine-12-carboxylic acid is O=C(O)c1c2ccccc2nc2ccc3ccccc3c12.
What is the InChIKey of benzo[a]acridine-12-carboxylic acid?
The InChIKey is ZWMSSTRKOWIKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11NO2/c20-18(21)17-13-7-3-4-8-14(13)19-15-10-9-11-5-1-2-6-12(11)16(15)17/h1-10H,(H,20,21).
What are the key properties of benzo[a]acridine-12-carboxylic acid?
benzo[a]acridine-12-carboxylic acid has a molecular weight of 273.29 g/mol, XLogP of 4.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[a]acridine-12-carboxylic acid is sourced from PubChem (CID 54569893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).