2-(chloromethyl)-5H-[1,3]oxazolo[4,5-c]quinolin-4-one

C11H7ClN2O2 — CID 607883

IUPAC2-(chloromethyl)-5H-[1,3]oxazolo[4,5-c]quinolin-4-one
SMILESO=c1[nH]c2ccccc2c2oc(CCl)nc12
InChIInChI=1S/C11H7ClN2O2/c12-5-8-14-9-10(16-8)6-3-1-2-4-7(6)13-11(9)15/h1-4H,5H2,(H,13,15)
InChIKeyUKORJITXSYAZRG-UHFFFAOYSA-N
MW234.64 g/mol
LogP2.41
Rot. Bonds1

About 2-(chloromethyl)-5H-[1,3]oxazolo[4,5-c]quinolin-4-one

2-(chloromethyl)-5H-[1,3]oxazolo[4,5-c]quinolin-4-one (PubChem CID 607883) has the molecular formula C11H7ClN2O2 and a molecular weight of 234.64 g/mol. Its IUPAC name is 2-(chloromethyl)-5H-[1,3]oxazolo[4,5-c]quinolin-4-one.

Molecular Properties

Compound Name2-(chloromethyl)-5H-[1,3]oxazolo[4,5-c]quinolin-4-one
PubChem CID607883
Molecular FormulaC11H7ClN2O2
Molecular Weight234.64 g/mol
Exact Mass234.02
IUPAC Name2-(chloromethyl)-5H-[1,3]oxazolo[4,5-c]quinolin-4-one
SMILESO=c1[nH]c2ccccc2c2oc(CCl)nc12
InChIInChI=1S/C11H7ClN2O2/c12-5-8-14-9-10(16-8)6-3-1-2-4-7(6)13-11(9)15/h1-4H,5H2,(H,13,15)
InChIKeyUKORJITXSYAZRG-UHFFFAOYSA-N
XLogP2.41
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.64
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-5H-[1,3]oxazolo[4,5-c]quinolin-4-one?
The IUPAC name of 2-(chloromethyl)-5H-[1,3]oxazolo[4,5-c]quinolin-4-one (CID 607883) is 2-(chloromethyl)-5H-[1,3]oxazolo[4,5-c]quinolin-4-one.
What is the SMILES notation for 2-(chloromethyl)-5H-[1,3]oxazolo[4,5-c]quinolin-4-one?
The canonical SMILES for 2-(chloromethyl)-5H-[1,3]oxazolo[4,5-c]quinolin-4-one is O=c1[nH]c2ccccc2c2oc(CCl)nc12.
What is the InChIKey of 2-(chloromethyl)-5H-[1,3]oxazolo[4,5-c]quinolin-4-one?
The InChIKey is UKORJITXSYAZRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN2O2/c12-5-8-14-9-10(16-8)6-3-1-2-4-7(6)13-11(9)15/h1-4H,5H2,(H,13,15).
What are the key properties of 2-(chloromethyl)-5H-[1,3]oxazolo[4,5-c]quinolin-4-one?
2-(chloromethyl)-5H-[1,3]oxazolo[4,5-c]quinolin-4-one has a molecular weight of 234.64 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5H-[1,3]oxazolo[4,5-c]quinolin-4-one is sourced from PubChem (CID 607883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).