4-chloro-8-fluoro-7-methoxyquinazoline

C9H6ClFN2O — CID 118418842

IUPAC4-chloro-8-fluoro-7-methoxyquinazoline
SMILESCOc1ccc2c(Cl)ncnc2c1F
InChIInChI=1S/C9H6ClFN2O/c1-14-6-3-2-5-8(7(6)11)12-4-13-9(5)10/h2-4H,1H3
InChIKeyOMKZSYOUHFHBPY-UHFFFAOYSA-N
MW212.61 g/mol
LogP2.43
Rot. Bonds1

About 4-chloro-8-fluoro-7-methoxyquinazoline

4-chloro-8-fluoro-7-methoxyquinazoline (PubChem CID 118418842) has the molecular formula C9H6ClFN2O and a molecular weight of 212.61 g/mol. Its IUPAC name is 4-chloro-8-fluoro-7-methoxyquinazoline.

Molecular Properties

Compound Name4-chloro-8-fluoro-7-methoxyquinazoline
PubChem CID118418842
Molecular FormulaC9H6ClFN2O
Molecular Weight212.61 g/mol
Exact Mass212.02
IUPAC Name4-chloro-8-fluoro-7-methoxyquinazoline
SMILESCOc1ccc2c(Cl)ncnc2c1F
InChIInChI=1S/C9H6ClFN2O/c1-14-6-3-2-5-8(7(6)11)12-4-13-9(5)10/h2-4H,1H3
InChIKeyOMKZSYOUHFHBPY-UHFFFAOYSA-N
XLogP2.43
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.61
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-8-fluoro-7-methoxyquinazoline?
The IUPAC name of 4-chloro-8-fluoro-7-methoxyquinazoline (CID 118418842) is 4-chloro-8-fluoro-7-methoxyquinazoline.
What is the SMILES notation for 4-chloro-8-fluoro-7-methoxyquinazoline?
The canonical SMILES for 4-chloro-8-fluoro-7-methoxyquinazoline is COc1ccc2c(Cl)ncnc2c1F.
What is the InChIKey of 4-chloro-8-fluoro-7-methoxyquinazoline?
The InChIKey is OMKZSYOUHFHBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClFN2O/c1-14-6-3-2-5-8(7(6)11)12-4-13-9(5)10/h2-4H,1H3.
What are the key properties of 4-chloro-8-fluoro-7-methoxyquinazoline?
4-chloro-8-fluoro-7-methoxyquinazoline has a molecular weight of 212.61 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-8-fluoro-7-methoxyquinazoline is sourced from PubChem (CID 118418842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).