6-bromo-5-fluoro-N-(4-morpholin-4-ylphenyl)quinazolin-2-amine

C18H16BrFN4O — CID 25016777

IUPAC6-bromo-5-fluoro-N-(4-morpholin-4-ylphenyl)quinazolin-2-amine
SMILESFc1c(Br)ccc2nc(Nc3ccc(N4CCOCC4)cc3)ncc12
InChIInChI=1S/C18H16BrFN4O/c19-15-5-6-16-14(17(15)20)11-21-18(23-16)22-12-1-3-13(4-2-12)24-7-9-25-10-8-24/h1-6,11H,7-10H2,(H,21,22,23)
InChIKeyUEYYUHMDAKRNEH-UHFFFAOYSA-N
MW403.26 g/mol
LogP4.11
Rot. Bonds3

About 6-bromo-5-fluoro-N-(4-morpholin-4-ylphenyl)quinazolin-2-amine

6-bromo-5-fluoro-N-(4-morpholin-4-ylphenyl)quinazolin-2-amine (PubChem CID 25016777) has the molecular formula C18H16BrFN4O and a molecular weight of 403.26 g/mol. Its IUPAC name is 6-bromo-5-fluoro-N-(4-morpholin-4-ylphenyl)quinazolin-2-amine.

Molecular Properties

Compound Name6-bromo-5-fluoro-N-(4-morpholin-4-ylphenyl)quinazolin-2-amine
PubChem CID25016777
Molecular FormulaC18H16BrFN4O
Molecular Weight403.26 g/mol
Exact Mass402.05
IUPAC Name6-bromo-5-fluoro-N-(4-morpholin-4-ylphenyl)quinazolin-2-amine
SMILESFc1c(Br)ccc2nc(Nc3ccc(N4CCOCC4)cc3)ncc12
InChIInChI=1S/C18H16BrFN4O/c19-15-5-6-16-14(17(15)20)11-21-18(23-16)22-12-1-3-13(4-2-12)24-7-9-25-10-8-24/h1-6,11H,7-10H2,(H,21,22,23)
InChIKeyUEYYUHMDAKRNEH-UHFFFAOYSA-N
XLogP4.11
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.26
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-fluoro-N-(4-morpholin-4-ylphenyl)quinazolin-2-amine?
The IUPAC name of 6-bromo-5-fluoro-N-(4-morpholin-4-ylphenyl)quinazolin-2-amine (CID 25016777) is 6-bromo-5-fluoro-N-(4-morpholin-4-ylphenyl)quinazolin-2-amine.
What is the SMILES notation for 6-bromo-5-fluoro-N-(4-morpholin-4-ylphenyl)quinazolin-2-amine?
The canonical SMILES for 6-bromo-5-fluoro-N-(4-morpholin-4-ylphenyl)quinazolin-2-amine is Fc1c(Br)ccc2nc(Nc3ccc(N4CCOCC4)cc3)ncc12.
What is the InChIKey of 6-bromo-5-fluoro-N-(4-morpholin-4-ylphenyl)quinazolin-2-amine?
The InChIKey is UEYYUHMDAKRNEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrFN4O/c19-15-5-6-16-14(17(15)20)11-21-18(23-16)22-12-1-3-13(4-2-12)24-7-9-25-10-8-24/h1-6,11H,7-10H2,(H,21,22,23).
What are the key properties of 6-bromo-5-fluoro-N-(4-morpholin-4-ylphenyl)quinazolin-2-amine?
6-bromo-5-fluoro-N-(4-morpholin-4-ylphenyl)quinazolin-2-amine has a molecular weight of 403.26 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-fluoro-N-(4-morpholin-4-ylphenyl)quinazolin-2-amine is sourced from PubChem (CID 25016777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).