6-(2-chloroethoxy)-7-(2-methoxyethoxy)quinazoline

C13H15ClN2O3 — CID 91514262

IUPAC6-(2-chloroethoxy)-7-(2-methoxyethoxy)quinazoline
SMILESCOCCOc1cc2ncncc2cc1OCCCl
InChIInChI=1S/C13H15ClN2O3/c1-17-4-5-19-13-7-11-10(8-15-9-16-11)6-12(13)18-3-2-14/h6-9H,2-5H2,1H3
InChIKeyVRWKCTNXFULRDN-UHFFFAOYSA-N
MW282.73 g/mol
LogP2.27
Rot. Bonds7

About 6-(2-chloroethoxy)-7-(2-methoxyethoxy)quinazoline

6-(2-chloroethoxy)-7-(2-methoxyethoxy)quinazoline (PubChem CID 91514262) has the molecular formula C13H15ClN2O3 and a molecular weight of 282.73 g/mol. Its IUPAC name is 6-(2-chloroethoxy)-7-(2-methoxyethoxy)quinazoline.

Molecular Properties

Compound Name6-(2-chloroethoxy)-7-(2-methoxyethoxy)quinazoline
PubChem CID91514262
Molecular FormulaC13H15ClN2O3
Molecular Weight282.73 g/mol
Exact Mass282.08
IUPAC Name6-(2-chloroethoxy)-7-(2-methoxyethoxy)quinazoline
SMILESCOCCOc1cc2ncncc2cc1OCCCl
InChIInChI=1S/C13H15ClN2O3/c1-17-4-5-19-13-7-11-10(8-15-9-16-11)6-12(13)18-3-2-14/h6-9H,2-5H2,1H3
InChIKeyVRWKCTNXFULRDN-UHFFFAOYSA-N
XLogP2.27
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chloroethoxy)-7-(2-methoxyethoxy)quinazoline?
The IUPAC name of 6-(2-chloroethoxy)-7-(2-methoxyethoxy)quinazoline (CID 91514262) is 6-(2-chloroethoxy)-7-(2-methoxyethoxy)quinazoline.
What is the SMILES notation for 6-(2-chloroethoxy)-7-(2-methoxyethoxy)quinazoline?
The canonical SMILES for 6-(2-chloroethoxy)-7-(2-methoxyethoxy)quinazoline is COCCOc1cc2ncncc2cc1OCCCl.
What is the InChIKey of 6-(2-chloroethoxy)-7-(2-methoxyethoxy)quinazoline?
The InChIKey is VRWKCTNXFULRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O3/c1-17-4-5-19-13-7-11-10(8-15-9-16-11)6-12(13)18-3-2-14/h6-9H,2-5H2,1H3.
What are the key properties of 6-(2-chloroethoxy)-7-(2-methoxyethoxy)quinazoline?
6-(2-chloroethoxy)-7-(2-methoxyethoxy)quinazoline has a molecular weight of 282.73 g/mol, XLogP of 2.27, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloroethoxy)-7-(2-methoxyethoxy)quinazoline is sourced from PubChem (CID 91514262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).