4-chloro-6-fluoro-7-phenylmethoxyquinazoline

C15H10ClFN2O — CID 86605229

IUPAC4-chloro-6-fluoro-7-phenylmethoxyquinazoline
SMILESFc1cc2c(Cl)ncnc2cc1OCc1ccccc1
InChIInChI=1S/C15H10ClFN2O/c16-15-11-6-12(17)14(7-13(11)18-9-19-15)20-8-10-4-2-1-3-5-10/h1-7,9H,8H2
InChIKeyIMOJTJCLDJBINQ-UHFFFAOYSA-N
MW288.71 g/mol
LogP4.00
Rot. Bonds3

About 4-chloro-6-fluoro-7-phenylmethoxyquinazoline

4-chloro-6-fluoro-7-phenylmethoxyquinazoline (PubChem CID 86605229) has the molecular formula C15H10ClFN2O and a molecular weight of 288.71 g/mol. Its IUPAC name is 4-chloro-6-fluoro-7-phenylmethoxyquinazoline.

Molecular Properties

Compound Name4-chloro-6-fluoro-7-phenylmethoxyquinazoline
PubChem CID86605229
Molecular FormulaC15H10ClFN2O
Molecular Weight288.71 g/mol
Exact Mass288.05
IUPAC Name4-chloro-6-fluoro-7-phenylmethoxyquinazoline
SMILESFc1cc2c(Cl)ncnc2cc1OCc1ccccc1
InChIInChI=1S/C15H10ClFN2O/c16-15-11-6-12(17)14(7-13(11)18-9-19-15)20-8-10-4-2-1-3-5-10/h1-7,9H,8H2
InChIKeyIMOJTJCLDJBINQ-UHFFFAOYSA-N
XLogP4.00
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.71
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-fluoro-7-phenylmethoxyquinazoline?
The IUPAC name of 4-chloro-6-fluoro-7-phenylmethoxyquinazoline (CID 86605229) is 4-chloro-6-fluoro-7-phenylmethoxyquinazoline.
What is the SMILES notation for 4-chloro-6-fluoro-7-phenylmethoxyquinazoline?
The canonical SMILES for 4-chloro-6-fluoro-7-phenylmethoxyquinazoline is Fc1cc2c(Cl)ncnc2cc1OCc1ccccc1.
What is the InChIKey of 4-chloro-6-fluoro-7-phenylmethoxyquinazoline?
The InChIKey is IMOJTJCLDJBINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN2O/c16-15-11-6-12(17)14(7-13(11)18-9-19-15)20-8-10-4-2-1-3-5-10/h1-7,9H,8H2.
What are the key properties of 4-chloro-6-fluoro-7-phenylmethoxyquinazoline?
4-chloro-6-fluoro-7-phenylmethoxyquinazoline has a molecular weight of 288.71 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-fluoro-7-phenylmethoxyquinazoline is sourced from PubChem (CID 86605229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).