4-(8-bromo-4-chloro-6-fluoroquinazolin-2-yl)morpholine

C12H10BrClFN3O — CID 155010209

IUPAC4-(8-bromo-4-chloro-6-fluoroquinazolin-2-yl)morpholine
SMILESFc1cc(Br)c2nc(N3CCOCC3)nc(Cl)c2c1
InChIInChI=1S/C12H10BrClFN3O/c13-9-6-7(15)5-8-10(9)16-12(17-11(8)14)18-1-3-19-4-2-18/h5-6H,1-4H2
InChIKeyCTSNWUSJFUJCSZ-UHFFFAOYSA-N
MW346.59 g/mol
LogP3.02
Rot. Bonds1

About 4-(8-bromo-4-chloro-6-fluoroquinazolin-2-yl)morpholine

4-(8-bromo-4-chloro-6-fluoroquinazolin-2-yl)morpholine (PubChem CID 155010209) has the molecular formula C12H10BrClFN3O and a molecular weight of 346.59 g/mol. Its IUPAC name is 4-(8-bromo-4-chloro-6-fluoroquinazolin-2-yl)morpholine.

Molecular Properties

Compound Name4-(8-bromo-4-chloro-6-fluoroquinazolin-2-yl)morpholine
PubChem CID155010209
Molecular FormulaC12H10BrClFN3O
Molecular Weight346.59 g/mol
Exact Mass344.97
IUPAC Name4-(8-bromo-4-chloro-6-fluoroquinazolin-2-yl)morpholine
SMILESFc1cc(Br)c2nc(N3CCOCC3)nc(Cl)c2c1
InChIInChI=1S/C12H10BrClFN3O/c13-9-6-7(15)5-8-10(9)16-12(17-11(8)14)18-1-3-19-4-2-18/h5-6H,1-4H2
InChIKeyCTSNWUSJFUJCSZ-UHFFFAOYSA-N
XLogP3.02
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.59
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(8-bromo-4-chloro-6-fluoroquinazolin-2-yl)morpholine?
The IUPAC name of 4-(8-bromo-4-chloro-6-fluoroquinazolin-2-yl)morpholine (CID 155010209) is 4-(8-bromo-4-chloro-6-fluoroquinazolin-2-yl)morpholine.
What is the SMILES notation for 4-(8-bromo-4-chloro-6-fluoroquinazolin-2-yl)morpholine?
The canonical SMILES for 4-(8-bromo-4-chloro-6-fluoroquinazolin-2-yl)morpholine is Fc1cc(Br)c2nc(N3CCOCC3)nc(Cl)c2c1.
What is the InChIKey of 4-(8-bromo-4-chloro-6-fluoroquinazolin-2-yl)morpholine?
The InChIKey is CTSNWUSJFUJCSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClFN3O/c13-9-6-7(15)5-8-10(9)16-12(17-11(8)14)18-1-3-19-4-2-18/h5-6H,1-4H2.
What are the key properties of 4-(8-bromo-4-chloro-6-fluoroquinazolin-2-yl)morpholine?
4-(8-bromo-4-chloro-6-fluoroquinazolin-2-yl)morpholine has a molecular weight of 346.59 g/mol, XLogP of 3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-bromo-4-chloro-6-fluoroquinazolin-2-yl)morpholine is sourced from PubChem (CID 155010209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).