7-(chloromethyl)-3,5-dihydro-1H-furo[3,4-c]quinolin-4-one

C24H20Cl2N2O4 — CID 171614035

IUPAC7-(chloromethyl)-3,5-dihydro-1H-furo[3,4-c]quinolin-4-one
SMILESO=c1[nH]c2cc(CCl)ccc2c2c1COC2.O=c1[nH]c2cc(CCl)ccc2c2c1COC2
InChIInChI=1S/2C12H10ClNO2/c2*13-4-7-1-2-8-9-5-16-6-10(9)12(15)14-11(8)3-7/h2*1-3H,4-6H2,(H,14,15)
InChIKeyVTKJFIWYSUBHNP-UHFFFAOYSA-N
MW471.34 g/mol
LogP4.59
Rot. Bonds2

About 7-(chloromethyl)-3,5-dihydro-1H-furo[3,4-c]quinolin-4-one

7-(chloromethyl)-3,5-dihydro-1H-furo[3,4-c]quinolin-4-one (PubChem CID 171614035) has the molecular formula C24H20Cl2N2O4 and a molecular weight of 471.34 g/mol. Its IUPAC name is 7-(chloromethyl)-3,5-dihydro-1H-furo[3,4-c]quinolin-4-one.

Molecular Properties

Compound Name7-(chloromethyl)-3,5-dihydro-1H-furo[3,4-c]quinolin-4-one
PubChem CID171614035
Molecular FormulaC24H20Cl2N2O4
Molecular Weight471.34 g/mol
Exact Mass470.08
IUPAC Name7-(chloromethyl)-3,5-dihydro-1H-furo[3,4-c]quinolin-4-one
SMILESO=c1[nH]c2cc(CCl)ccc2c2c1COC2.O=c1[nH]c2cc(CCl)ccc2c2c1COC2
InChIInChI=1S/2C12H10ClNO2/c2*13-4-7-1-2-8-9-5-16-6-10(9)12(15)14-11(8)3-7/h2*1-3H,4-6H2,(H,14,15)
InChIKeyVTKJFIWYSUBHNP-UHFFFAOYSA-N
XLogP4.59
TPSA84.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.34
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 7-(chloromethyl)-3,5-dihydro-1H-furo[3,4-c]quinolin-4-one?
The IUPAC name of 7-(chloromethyl)-3,5-dihydro-1H-furo[3,4-c]quinolin-4-one (CID 171614035) is 7-(chloromethyl)-3,5-dihydro-1H-furo[3,4-c]quinolin-4-one.
What is the SMILES notation for 7-(chloromethyl)-3,5-dihydro-1H-furo[3,4-c]quinolin-4-one?
The canonical SMILES for 7-(chloromethyl)-3,5-dihydro-1H-furo[3,4-c]quinolin-4-one is O=c1[nH]c2cc(CCl)ccc2c2c1COC2.O=c1[nH]c2cc(CCl)ccc2c2c1COC2.
What is the InChIKey of 7-(chloromethyl)-3,5-dihydro-1H-furo[3,4-c]quinolin-4-one?
The InChIKey is VTKJFIWYSUBHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H10ClNO2/c2*13-4-7-1-2-8-9-5-16-6-10(9)12(15)14-11(8)3-7/h2*1-3H,4-6H2,(H,14,15).
What are the key properties of 7-(chloromethyl)-3,5-dihydro-1H-furo[3,4-c]quinolin-4-one?
7-(chloromethyl)-3,5-dihydro-1H-furo[3,4-c]quinolin-4-one has a molecular weight of 471.34 g/mol, XLogP of 4.59, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(chloromethyl)-3,5-dihydro-1H-furo[3,4-c]quinolin-4-one is sourced from PubChem (CID 171614035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).