N-[2-(4-dibenzofuran-2-ylphenyl)ethyl]-6-fluoroquinazolin-4-amine

C28H20FN3O — CID 171348837

IUPACN-[2-(4-dibenzofuran-2-ylphenyl)ethyl]-6-fluoroquinazolin-4-amine
SMILESFc1ccc2ncnc(NCCc3ccc(-c4ccc5oc6ccccc6c5c4)cc3)c2c1
InChIInChI=1S/C28H20FN3O/c29-21-10-11-25-24(16-21)28(32-17-31-25)30-14-13-18-5-7-19(8-6-18)20-9-12-27-23(15-20)22-3-1-2-4-26(22)33-27/h1-12,15-17H,13-14H2,(H,30,31,32)
InChIKeyHUTNCKYYYHQROC-UHFFFAOYSA-N
MW433.49 g/mol
LogP6.99
Rot. Bonds5

About N-[2-(4-dibenzofuran-2-ylphenyl)ethyl]-6-fluoroquinazolin-4-amine

N-[2-(4-dibenzofuran-2-ylphenyl)ethyl]-6-fluoroquinazolin-4-amine (PubChem CID 171348837) has the molecular formula C28H20FN3O and a molecular weight of 433.49 g/mol. Its IUPAC name is N-[2-(4-dibenzofuran-2-ylphenyl)ethyl]-6-fluoroquinazolin-4-amine.

Molecular Properties

Compound NameN-[2-(4-dibenzofuran-2-ylphenyl)ethyl]-6-fluoroquinazolin-4-amine
PubChem CID171348837
Molecular FormulaC28H20FN3O
Molecular Weight433.49 g/mol
Exact Mass433.16
IUPAC NameN-[2-(4-dibenzofuran-2-ylphenyl)ethyl]-6-fluoroquinazolin-4-amine
SMILESFc1ccc2ncnc(NCCc3ccc(-c4ccc5oc6ccccc6c5c4)cc3)c2c1
InChIInChI=1S/C28H20FN3O/c29-21-10-11-25-24(16-21)28(32-17-31-25)30-14-13-18-5-7-19(8-6-18)20-9-12-27-23(15-20)22-3-1-2-4-26(22)33-27/h1-12,15-17H,13-14H2,(H,30,31,32)
InChIKeyHUTNCKYYYHQROC-UHFFFAOYSA-N
XLogP6.99
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.49
LogP ≤ 56.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-dibenzofuran-2-ylphenyl)ethyl]-6-fluoroquinazolin-4-amine?
The IUPAC name of N-[2-(4-dibenzofuran-2-ylphenyl)ethyl]-6-fluoroquinazolin-4-amine (CID 171348837) is N-[2-(4-dibenzofuran-2-ylphenyl)ethyl]-6-fluoroquinazolin-4-amine.
What is the SMILES notation for N-[2-(4-dibenzofuran-2-ylphenyl)ethyl]-6-fluoroquinazolin-4-amine?
The canonical SMILES for N-[2-(4-dibenzofuran-2-ylphenyl)ethyl]-6-fluoroquinazolin-4-amine is Fc1ccc2ncnc(NCCc3ccc(-c4ccc5oc6ccccc6c5c4)cc3)c2c1.
What is the InChIKey of N-[2-(4-dibenzofuran-2-ylphenyl)ethyl]-6-fluoroquinazolin-4-amine?
The InChIKey is HUTNCKYYYHQROC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20FN3O/c29-21-10-11-25-24(16-21)28(32-17-31-25)30-14-13-18-5-7-19(8-6-18)20-9-12-27-23(15-20)22-3-1-2-4-26(22)33-27/h1-12,15-17H,13-14H2,(H,30,31,32).
What are the key properties of N-[2-(4-dibenzofuran-2-ylphenyl)ethyl]-6-fluoroquinazolin-4-amine?
N-[2-(4-dibenzofuran-2-ylphenyl)ethyl]-6-fluoroquinazolin-4-amine has a molecular weight of 433.49 g/mol, XLogP of 6.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-dibenzofuran-2-ylphenyl)ethyl]-6-fluoroquinazolin-4-amine is sourced from PubChem (CID 171348837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).