4-chloro-7-(2-methoxyethoxy)quinazolin-6-ol

C11H11ClN2O3 — CID 25258085

IUPAC4-chloro-7-(2-methoxyethoxy)quinazolin-6-ol
SMILESCOCCOc1cc2ncnc(Cl)c2cc1O
InChIInChI=1S/C11H11ClN2O3/c1-16-2-3-17-10-5-8-7(4-9(10)15)11(12)14-6-13-8/h4-6,15H,2-3H2,1H3
InChIKeyIPNYJFLEZMRHMB-UHFFFAOYSA-N
MW254.67 g/mol
LogP2.01
Rot. Bonds4

About 4-chloro-7-(2-methoxyethoxy)quinazolin-6-ol

4-chloro-7-(2-methoxyethoxy)quinazolin-6-ol (PubChem CID 25258085) has the molecular formula C11H11ClN2O3 and a molecular weight of 254.67 g/mol. Its IUPAC name is 4-chloro-7-(2-methoxyethoxy)quinazolin-6-ol.

Molecular Properties

Compound Name4-chloro-7-(2-methoxyethoxy)quinazolin-6-ol
PubChem CID25258085
Molecular FormulaC11H11ClN2O3
Molecular Weight254.67 g/mol
Exact Mass254.05
IUPAC Name4-chloro-7-(2-methoxyethoxy)quinazolin-6-ol
SMILESCOCCOc1cc2ncnc(Cl)c2cc1O
InChIInChI=1S/C11H11ClN2O3/c1-16-2-3-17-10-5-8-7(4-9(10)15)11(12)14-6-13-8/h4-6,15H,2-3H2,1H3
InChIKeyIPNYJFLEZMRHMB-UHFFFAOYSA-N
XLogP2.01
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.67
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-(2-methoxyethoxy)quinazolin-6-ol?
The IUPAC name of 4-chloro-7-(2-methoxyethoxy)quinazolin-6-ol (CID 25258085) is 4-chloro-7-(2-methoxyethoxy)quinazolin-6-ol.
What is the SMILES notation for 4-chloro-7-(2-methoxyethoxy)quinazolin-6-ol?
The canonical SMILES for 4-chloro-7-(2-methoxyethoxy)quinazolin-6-ol is COCCOc1cc2ncnc(Cl)c2cc1O.
What is the InChIKey of 4-chloro-7-(2-methoxyethoxy)quinazolin-6-ol?
The InChIKey is IPNYJFLEZMRHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O3/c1-16-2-3-17-10-5-8-7(4-9(10)15)11(12)14-6-13-8/h4-6,15H,2-3H2,1H3.
What are the key properties of 4-chloro-7-(2-methoxyethoxy)quinazolin-6-ol?
4-chloro-7-(2-methoxyethoxy)quinazolin-6-ol has a molecular weight of 254.67 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-(2-methoxyethoxy)quinazolin-6-ol is sourced from PubChem (CID 25258085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).