6-(furan-3-yl)-N-phenylquinazolin-4-amine

C18H13N3O — CID 3232653

IUPAC6-(furan-3-yl)-N-phenylquinazolin-4-amine
SMILESc1ccc(Nc2ncnc3ccc(-c4ccoc4)cc23)cc1
InChIInChI=1S/C18H13N3O/c1-2-4-15(5-3-1)21-18-16-10-13(14-8-9-22-11-14)6-7-17(16)19-12-20-18/h1-12H,(H,19,20,21)
InChIKeyYDAUQGZDWACRBI-UHFFFAOYSA-N
MW287.32 g/mol
LogP4.63
Rot. Bonds3

About 6-(furan-3-yl)-N-phenylquinazolin-4-amine

6-(furan-3-yl)-N-phenylquinazolin-4-amine (PubChem CID 3232653) has the molecular formula C18H13N3O and a molecular weight of 287.32 g/mol. Its IUPAC name is 6-(furan-3-yl)-N-phenylquinazolin-4-amine.

Molecular Properties

Compound Name6-(furan-3-yl)-N-phenylquinazolin-4-amine
PubChem CID3232653
Molecular FormulaC18H13N3O
Molecular Weight287.32 g/mol
Exact Mass287.11
IUPAC Name6-(furan-3-yl)-N-phenylquinazolin-4-amine
SMILESc1ccc(Nc2ncnc3ccc(-c4ccoc4)cc23)cc1
InChIInChI=1S/C18H13N3O/c1-2-4-15(5-3-1)21-18-16-10-13(14-8-9-22-11-14)6-7-17(16)19-12-20-18/h1-12H,(H,19,20,21)
InChIKeyYDAUQGZDWACRBI-UHFFFAOYSA-N
XLogP4.63
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(furan-3-yl)-N-phenylquinazolin-4-amine?
The IUPAC name of 6-(furan-3-yl)-N-phenylquinazolin-4-amine (CID 3232653) is 6-(furan-3-yl)-N-phenylquinazolin-4-amine.
What is the SMILES notation for 6-(furan-3-yl)-N-phenylquinazolin-4-amine?
The canonical SMILES for 6-(furan-3-yl)-N-phenylquinazolin-4-amine is c1ccc(Nc2ncnc3ccc(-c4ccoc4)cc23)cc1.
What is the InChIKey of 6-(furan-3-yl)-N-phenylquinazolin-4-amine?
The InChIKey is YDAUQGZDWACRBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O/c1-2-4-15(5-3-1)21-18-16-10-13(14-8-9-22-11-14)6-7-17(16)19-12-20-18/h1-12H,(H,19,20,21).
What are the key properties of 6-(furan-3-yl)-N-phenylquinazolin-4-amine?
6-(furan-3-yl)-N-phenylquinazolin-4-amine has a molecular weight of 287.32 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-3-yl)-N-phenylquinazolin-4-amine is sourced from PubChem (CID 3232653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).