3,4-dihydro-1H-[1,3]oxazino[4,5-c]acridine

C15H12N2O — CID 15284991

IUPAC3,4-dihydro-1H-[1,3]oxazino[4,5-c]acridine
SMILESc1ccc2nc3c4c(ccc3cc2c1)NCOC4
InChIInChI=1S/C15H12N2O/c1-2-4-13-10(3-1)7-11-5-6-14-12(15(11)17-13)8-18-9-16-14/h1-7,16H,8-9H2
InChIKeyITPGTZCJANLRHB-UHFFFAOYSA-N
MW236.27 g/mol
LogP3.29
Rot. Bonds

About 3,4-dihydro-1H-[1,3]oxazino[4,5-c]acridine

3,4-dihydro-1H-[1,3]oxazino[4,5-c]acridine (PubChem CID 15284991) has the molecular formula C15H12N2O and a molecular weight of 236.27 g/mol. Its IUPAC name is 3,4-dihydro-1H-[1,3]oxazino[4,5-c]acridine.

Molecular Properties

Compound Name3,4-dihydro-1H-[1,3]oxazino[4,5-c]acridine
PubChem CID15284991
Molecular FormulaC15H12N2O
Molecular Weight236.27 g/mol
Exact Mass236.09
IUPAC Name3,4-dihydro-1H-[1,3]oxazino[4,5-c]acridine
SMILESc1ccc2nc3c4c(ccc3cc2c1)NCOC4
InChIInChI=1S/C15H12N2O/c1-2-4-13-10(3-1)7-11-5-6-14-12(15(11)17-13)8-18-9-16-14/h1-7,16H,8-9H2
InChIKeyITPGTZCJANLRHB-UHFFFAOYSA-N
XLogP3.29
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 53.29
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 3,4-dihydro-1H-[1,3]oxazino[4,5-c]acridine?
The IUPAC name of 3,4-dihydro-1H-[1,3]oxazino[4,5-c]acridine (CID 15284991) is 3,4-dihydro-1H-[1,3]oxazino[4,5-c]acridine.
What is the SMILES notation for 3,4-dihydro-1H-[1,3]oxazino[4,5-c]acridine?
The canonical SMILES for 3,4-dihydro-1H-[1,3]oxazino[4,5-c]acridine is c1ccc2nc3c4c(ccc3cc2c1)NCOC4.
What is the InChIKey of 3,4-dihydro-1H-[1,3]oxazino[4,5-c]acridine?
The InChIKey is ITPGTZCJANLRHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O/c1-2-4-13-10(3-1)7-11-5-6-14-12(15(11)17-13)8-18-9-16-14/h1-7,16H,8-9H2.
What are the key properties of 3,4-dihydro-1H-[1,3]oxazino[4,5-c]acridine?
3,4-dihydro-1H-[1,3]oxazino[4,5-c]acridine has a molecular weight of 236.27 g/mol, XLogP of 3.29, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1H-[1,3]oxazino[4,5-c]acridine is sourced from PubChem (CID 15284991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).