2-(4-chloroquinazolin-6-yl)oxyacetonitrile

C10H6ClN3O — CID 121255025

IUPAC2-(4-chloroquinazolin-6-yl)oxyacetonitrile
SMILESN#CCOc1ccc2ncnc(Cl)c2c1
InChIInChI=1S/C10H6ClN3O/c11-10-8-5-7(15-4-3-12)1-2-9(8)13-6-14-10/h1-2,5-6H,4H2
InChIKeyWGJDNZMYGTXGAE-UHFFFAOYSA-N
MW219.63 g/mol
LogP2.19
Rot. Bonds2

About 2-(4-chloroquinazolin-6-yl)oxyacetonitrile

2-(4-chloroquinazolin-6-yl)oxyacetonitrile (PubChem CID 121255025) has the molecular formula C10H6ClN3O and a molecular weight of 219.63 g/mol. Its IUPAC name is 2-(4-chloroquinazolin-6-yl)oxyacetonitrile.

Molecular Properties

Compound Name2-(4-chloroquinazolin-6-yl)oxyacetonitrile
PubChem CID121255025
Molecular FormulaC10H6ClN3O
Molecular Weight219.63 g/mol
Exact Mass219.02
IUPAC Name2-(4-chloroquinazolin-6-yl)oxyacetonitrile
SMILESN#CCOc1ccc2ncnc(Cl)c2c1
InChIInChI=1S/C10H6ClN3O/c11-10-8-5-7(15-4-3-12)1-2-9(8)13-6-14-10/h1-2,5-6H,4H2
InChIKeyWGJDNZMYGTXGAE-UHFFFAOYSA-N
XLogP2.19
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.63
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloroquinazolin-6-yl)oxyacetonitrile?
The IUPAC name of 2-(4-chloroquinazolin-6-yl)oxyacetonitrile (CID 121255025) is 2-(4-chloroquinazolin-6-yl)oxyacetonitrile.
What is the SMILES notation for 2-(4-chloroquinazolin-6-yl)oxyacetonitrile?
The canonical SMILES for 2-(4-chloroquinazolin-6-yl)oxyacetonitrile is N#CCOc1ccc2ncnc(Cl)c2c1.
What is the InChIKey of 2-(4-chloroquinazolin-6-yl)oxyacetonitrile?
The InChIKey is WGJDNZMYGTXGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClN3O/c11-10-8-5-7(15-4-3-12)1-2-9(8)13-6-14-10/h1-2,5-6H,4H2.
What are the key properties of 2-(4-chloroquinazolin-6-yl)oxyacetonitrile?
2-(4-chloroquinazolin-6-yl)oxyacetonitrile has a molecular weight of 219.63 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloroquinazolin-6-yl)oxyacetonitrile is sourced from PubChem (CID 121255025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).