2-(6,8-dichloroquinazolin-4-yl)oxyacetonitrile

C10H5Cl2N3O — CID 2601493

IUPAC2-(6,8-dichloroquinazolin-4-yl)oxyacetonitrile
SMILESN#CCOc1ncnc2c(Cl)cc(Cl)cc12
InChIInChI=1S/C10H5Cl2N3O/c11-6-3-7-9(8(12)4-6)14-5-15-10(7)16-2-1-13/h3-5H,2H2
InChIKeyQTEREDQOJIDYFK-UHFFFAOYSA-N
MW254.08 g/mol
LogP2.84
Rot. Bonds2

About 2-(6,8-dichloroquinazolin-4-yl)oxyacetonitrile

2-(6,8-dichloroquinazolin-4-yl)oxyacetonitrile (PubChem CID 2601493) has the molecular formula C10H5Cl2N3O and a molecular weight of 254.08 g/mol. Its IUPAC name is 2-(6,8-dichloroquinazolin-4-yl)oxyacetonitrile.

Molecular Properties

Compound Name2-(6,8-dichloroquinazolin-4-yl)oxyacetonitrile
PubChem CID2601493
Molecular FormulaC10H5Cl2N3O
Molecular Weight254.08 g/mol
Exact Mass252.98
IUPAC Name2-(6,8-dichloroquinazolin-4-yl)oxyacetonitrile
SMILESN#CCOc1ncnc2c(Cl)cc(Cl)cc12
InChIInChI=1S/C10H5Cl2N3O/c11-6-3-7-9(8(12)4-6)14-5-15-10(7)16-2-1-13/h3-5H,2H2
InChIKeyQTEREDQOJIDYFK-UHFFFAOYSA-N
XLogP2.84
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.08
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6,8-dichloroquinazolin-4-yl)oxyacetonitrile?
The IUPAC name of 2-(6,8-dichloroquinazolin-4-yl)oxyacetonitrile (CID 2601493) is 2-(6,8-dichloroquinazolin-4-yl)oxyacetonitrile.
What is the SMILES notation for 2-(6,8-dichloroquinazolin-4-yl)oxyacetonitrile?
The canonical SMILES for 2-(6,8-dichloroquinazolin-4-yl)oxyacetonitrile is N#CCOc1ncnc2c(Cl)cc(Cl)cc12.
What is the InChIKey of 2-(6,8-dichloroquinazolin-4-yl)oxyacetonitrile?
The InChIKey is QTEREDQOJIDYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl2N3O/c11-6-3-7-9(8(12)4-6)14-5-15-10(7)16-2-1-13/h3-5H,2H2.
What are the key properties of 2-(6,8-dichloroquinazolin-4-yl)oxyacetonitrile?
2-(6,8-dichloroquinazolin-4-yl)oxyacetonitrile has a molecular weight of 254.08 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,8-dichloroquinazolin-4-yl)oxyacetonitrile is sourced from PubChem (CID 2601493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).