acridin-9-yl hydrogen carbonate

C14H9NO3 — CID 54493221

IUPACacridin-9-yl hydrogen carbonate
SMILESO=C(O)Oc1c2ccccc2nc2ccccc12
InChIInChI=1S/C14H9NO3/c16-14(17)18-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8H,(H,16,17)
InChIKeyXXGABQZQTYGOIU-UHFFFAOYSA-N
MW239.23 g/mol
LogP3.44
Rot. Bonds1

About acridin-9-yl hydrogen carbonate

acridin-9-yl hydrogen carbonate (PubChem CID 54493221) has the molecular formula C14H9NO3 and a molecular weight of 239.23 g/mol. Its IUPAC name is acridin-9-yl hydrogen carbonate.

Molecular Properties

Compound Nameacridin-9-yl hydrogen carbonate
PubChem CID54493221
Molecular FormulaC14H9NO3
Molecular Weight239.23 g/mol
Exact Mass239.06
IUPAC Nameacridin-9-yl hydrogen carbonate
SMILESO=C(O)Oc1c2ccccc2nc2ccccc12
InChIInChI=1S/C14H9NO3/c16-14(17)18-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8H,(H,16,17)
InChIKeyXXGABQZQTYGOIU-UHFFFAOYSA-N
XLogP3.44
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 53.44
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

acridin-9-yl propanoate
CID 174709653
(4-methoxyquinolin-2-yl) hydrogen carbonate
CID 70267248
methyl acridine-9-carboxylate
CID 21211
2-acridin-9-ylacetic acid
CID 15525099
N-acetyl-N-acridin-9-ylacetamide
CID 138324602
(4-chlorophenyl) acridine-9-carboxylate
CID 609870
N,N-dimethylacridine-9-carboxamide
CID 125496081
(3-hydroxy-4-methoxyquinolin-2-yl)-phenylmethanone
CID 67838673
(3,4-dimethylquinolin-2-yl) acetate
CID 175492978
(2-methylquinolin-3-yl) hydrogen carbonate
CID 70380848
N-acridin-9-ylbenzamide
CID 40532924
iridium;phenanthridine-6-carboxylic acid
CID 59015465

Frequently Asked Questions

What is the IUPAC name of acridin-9-yl hydrogen carbonate?
The IUPAC name of acridin-9-yl hydrogen carbonate (CID 54493221) is acridin-9-yl hydrogen carbonate.
What is the SMILES notation for acridin-9-yl hydrogen carbonate?
The canonical SMILES for acridin-9-yl hydrogen carbonate is O=C(O)Oc1c2ccccc2nc2ccccc12.
What is the InChIKey of acridin-9-yl hydrogen carbonate?
The InChIKey is XXGABQZQTYGOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO3/c16-14(17)18-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8H,(H,16,17).
What are the key properties of acridin-9-yl hydrogen carbonate?
acridin-9-yl hydrogen carbonate has a molecular weight of 239.23 g/mol, XLogP of 3.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acridin-9-yl hydrogen carbonate is sourced from PubChem (CID 54493221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).