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

C18H13N3O — CID 3232637

IUPAC2-(furan-3-yl)-N-phenylquinazolin-4-amine
SMILESc1ccc(Nc2nc(-c3ccoc3)nc3ccccc23)cc1
InChIInChI=1S/C18H13N3O/c1-2-6-14(7-3-1)19-18-15-8-4-5-9-16(15)20-17(21-18)13-10-11-22-12-13/h1-12H,(H,19,20,21)
InChIKeyBWHIVQYXIXNCDW-UHFFFAOYSA-N
MW287.32 g/mol
LogP4.63
Rot. Bonds3

About 2-(furan-3-yl)-N-phenylquinazolin-4-amine

2-(furan-3-yl)-N-phenylquinazolin-4-amine (PubChem CID 3232637) has the molecular formula C18H13N3O and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-(furan-3-yl)-N-phenylquinazolin-4-amine.

Molecular Properties

Compound Name2-(furan-3-yl)-N-phenylquinazolin-4-amine
PubChem CID3232637
Molecular FormulaC18H13N3O
Molecular Weight287.32 g/mol
Exact Mass287.11
IUPAC Name2-(furan-3-yl)-N-phenylquinazolin-4-amine
SMILESc1ccc(Nc2nc(-c3ccoc3)nc3ccccc23)cc1
InChIInChI=1S/C18H13N3O/c1-2-6-14(7-3-1)19-18-15-8-4-5-9-16(15)20-17(21-18)13-10-11-22-12-13/h1-12H,(H,19,20,21)
InChIKeyBWHIVQYXIXNCDW-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 2-(furan-3-yl)-N-phenylquinazolin-4-amine?
The IUPAC name of 2-(furan-3-yl)-N-phenylquinazolin-4-amine (CID 3232637) is 2-(furan-3-yl)-N-phenylquinazolin-4-amine.
What is the SMILES notation for 2-(furan-3-yl)-N-phenylquinazolin-4-amine?
The canonical SMILES for 2-(furan-3-yl)-N-phenylquinazolin-4-amine is c1ccc(Nc2nc(-c3ccoc3)nc3ccccc23)cc1.
What is the InChIKey of 2-(furan-3-yl)-N-phenylquinazolin-4-amine?
The InChIKey is BWHIVQYXIXNCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O/c1-2-6-14(7-3-1)19-18-15-8-4-5-9-16(15)20-17(21-18)13-10-11-22-12-13/h1-12H,(H,19,20,21).
What are the key properties of 2-(furan-3-yl)-N-phenylquinazolin-4-amine?
2-(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 2-(furan-3-yl)-N-phenylquinazolin-4-amine is sourced from PubChem (CID 3232637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).