4-(4-bromo-2-fluoroanilino)-7-methoxy-5-prop-2-enylquinazolin-6-ol

C18H15BrFN3O2 — CID 11281141

IUPAC4-(4-bromo-2-fluoroanilino)-7-methoxy-5-prop-2-enylquinazolin-6-ol
SMILESC=CCc1c(O)c(OC)cc2ncnc(Nc3ccc(Br)cc3F)c12
InChIInChI=1S/C18H15BrFN3O2/c1-3-4-11-16-14(8-15(25-2)17(11)24)21-9-22-18(16)23-13-6-5-10(19)7-12(13)20/h3,5-9,24H,1,4H2,2H3,(H,21,22,23)
InChIKeyRPSKUOKQZSFAJB-UHFFFAOYSA-N
MW404.24 g/mol
LogP4.72
Rot. Bonds5

About 4-(4-bromo-2-fluoroanilino)-7-methoxy-5-prop-2-enylquinazolin-6-ol

4-(4-bromo-2-fluoroanilino)-7-methoxy-5-prop-2-enylquinazolin-6-ol (PubChem CID 11281141) has the molecular formula C18H15BrFN3O2 and a molecular weight of 404.24 g/mol. Its IUPAC name is 4-(4-bromo-2-fluoroanilino)-7-methoxy-5-prop-2-enylquinazolin-6-ol.

Molecular Properties

Compound Name4-(4-bromo-2-fluoroanilino)-7-methoxy-5-prop-2-enylquinazolin-6-ol
PubChem CID11281141
Molecular FormulaC18H15BrFN3O2
Molecular Weight404.24 g/mol
Exact Mass403.03
IUPAC Name4-(4-bromo-2-fluoroanilino)-7-methoxy-5-prop-2-enylquinazolin-6-ol
SMILESC=CCc1c(O)c(OC)cc2ncnc(Nc3ccc(Br)cc3F)c12
InChIInChI=1S/C18H15BrFN3O2/c1-3-4-11-16-14(8-15(25-2)17(11)24)21-9-22-18(16)23-13-6-5-10(19)7-12(13)20/h3,5-9,24H,1,4H2,2H3,(H,21,22,23)
InChIKeyRPSKUOKQZSFAJB-UHFFFAOYSA-N
XLogP4.72
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.24
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(4-bromo-2-fluoroanilino)-7-methoxy-5-prop-2-enylquinazolin-6-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2-fluoroanilino)-7-methoxy-5-prop-2-enylquinazolin-6-ol?
The IUPAC name of 4-(4-bromo-2-fluoroanilino)-7-methoxy-5-prop-2-enylquinazolin-6-ol (CID 11281141) is 4-(4-bromo-2-fluoroanilino)-7-methoxy-5-prop-2-enylquinazolin-6-ol.
What is the SMILES notation for 4-(4-bromo-2-fluoroanilino)-7-methoxy-5-prop-2-enylquinazolin-6-ol?
The canonical SMILES for 4-(4-bromo-2-fluoroanilino)-7-methoxy-5-prop-2-enylquinazolin-6-ol is C=CCc1c(O)c(OC)cc2ncnc(Nc3ccc(Br)cc3F)c12.
What is the InChIKey of 4-(4-bromo-2-fluoroanilino)-7-methoxy-5-prop-2-enylquinazolin-6-ol?
The InChIKey is RPSKUOKQZSFAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrFN3O2/c1-3-4-11-16-14(8-15(25-2)17(11)24)21-9-22-18(16)23-13-6-5-10(19)7-12(13)20/h3,5-9,24H,1,4H2,2H3,(H,21,22,23).
What are the key properties of 4-(4-bromo-2-fluoroanilino)-7-methoxy-5-prop-2-enylquinazolin-6-ol?
4-(4-bromo-2-fluoroanilino)-7-methoxy-5-prop-2-enylquinazolin-6-ol has a molecular weight of 404.24 g/mol, XLogP of 4.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-2-fluoroanilino)-7-methoxy-5-prop-2-enylquinazolin-6-ol is sourced from PubChem (CID 11281141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).