methyl acridine-9-carboxylate

C15H11NO2 — CID 21211

IUPACmethyl acridine-9-carboxylate
SMILESCOC(=O)c1c2ccccc2nc2ccccc12
InChIInChI=1S/C15H11NO2/c1-18-15(17)14-10-6-2-4-8-12(10)16-13-9-5-3-7-11(13)14/h2-9H,1H3
InChIKeyPGWHWYBRRVQFCI-UHFFFAOYSA-N
MW237.26 g/mol
LogP3.17
Rot. Bonds1

About methyl acridine-9-carboxylate

methyl acridine-9-carboxylate (PubChem CID 21211) has the molecular formula C15H11NO2 and a molecular weight of 237.26 g/mol. Its IUPAC name is methyl acridine-9-carboxylate.

Molecular Properties

Compound Namemethyl acridine-9-carboxylate
PubChem CID21211
Molecular FormulaC15H11NO2
Molecular Weight237.26 g/mol
Exact Mass237.08
IUPAC Namemethyl acridine-9-carboxylate
SMILESCOC(=O)c1c2ccccc2nc2ccccc12
InChIInChI=1S/C15H11NO2/c1-18-15(17)14-10-6-2-4-8-12(10)16-13-9-5-3-7-11(13)14/h2-9H,1H3
InChIKeyPGWHWYBRRVQFCI-UHFFFAOYSA-N
XLogP3.17
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-hydroxyacridine-9-carboxylate
CID 135618678
dimethyl anthracene-9,10-dicarboxylate
CID 139057809
methyl 3-[(dimethylamino)methyl]-2-phenylquinoline-4-carboxylate
CID 10781962
methyl 4-chloro-2-methylsulfanylquinoline-3-carboxylate
CID 162691899
dimethyl 1-phenylisoquinoline-3,4-dicarboxylate
CID 11858745
N,N-dimethylacridine-9-carboxamide
CID 125496081
methyl 1-methyl-3-phenylisoquinoline-4-carboxylate
CID 138972318
methyl 2-chloroquinoline-4-carboxylate
CID 5202936
(4-chlorophenyl) acridine-9-carboxylate
CID 609870
methyl acridine-1-carboxylate
CID 54560619
methyl 4-amino-2-(1,1,2,2,2-pentafluoroethyl)quinoline-3-carboxylate
CID 164677041
methyl 4-propan-2-ylquinoline-2-carboxylate
CID 138515929

Frequently Asked Questions

What is the IUPAC name of methyl acridine-9-carboxylate?
The IUPAC name of methyl acridine-9-carboxylate (CID 21211) is methyl acridine-9-carboxylate.
What is the SMILES notation for methyl acridine-9-carboxylate?
The canonical SMILES for methyl acridine-9-carboxylate is COC(=O)c1c2ccccc2nc2ccccc12.
What is the InChIKey of methyl acridine-9-carboxylate?
The InChIKey is PGWHWYBRRVQFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO2/c1-18-15(17)14-10-6-2-4-8-12(10)16-13-9-5-3-7-11(13)14/h2-9H,1H3.
What are the key properties of methyl acridine-9-carboxylate?
methyl acridine-9-carboxylate has a molecular weight of 237.26 g/mol, XLogP of 3.17, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl acridine-9-carboxylate is sourced from PubChem (CID 21211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).