7-(furan-2-yl)-4-piperazin-1-ylquinazolin-2-amine

C16H17N5O — CID 56835171

IUPAC7-(furan-2-yl)-4-piperazin-1-ylquinazolin-2-amine
SMILESNc1nc(N2CCNCC2)c2ccc(-c3ccco3)cc2n1
InChIInChI=1S/C16H17N5O/c17-16-19-13-10-11(14-2-1-9-22-14)3-4-12(13)15(20-16)21-7-5-18-6-8-21/h1-4,9-10,18H,5-8H2,(H2,17,19,20)
InChIKeyUBEJREHBDACTGD-UHFFFAOYSA-N
MW295.35 g/mol
LogP1.88
Rot. Bonds2

About 7-(furan-2-yl)-4-piperazin-1-ylquinazolin-2-amine

7-(furan-2-yl)-4-piperazin-1-ylquinazolin-2-amine (PubChem CID 56835171) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is 7-(furan-2-yl)-4-piperazin-1-ylquinazolin-2-amine.

Molecular Properties

Compound Name7-(furan-2-yl)-4-piperazin-1-ylquinazolin-2-amine
PubChem CID56835171
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name7-(furan-2-yl)-4-piperazin-1-ylquinazolin-2-amine
SMILESNc1nc(N2CCNCC2)c2ccc(-c3ccco3)cc2n1
InChIInChI=1S/C16H17N5O/c17-16-19-13-10-11(14-2-1-9-22-14)3-4-12(13)15(20-16)21-7-5-18-6-8-21/h1-4,9-10,18H,5-8H2,(H2,17,19,20)
InChIKeyUBEJREHBDACTGD-UHFFFAOYSA-N
XLogP1.88
TPSA80.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(furan-2-yl)-4-piperazin-1-ylquinazolin-2-amine?
The IUPAC name of 7-(furan-2-yl)-4-piperazin-1-ylquinazolin-2-amine (CID 56835171) is 7-(furan-2-yl)-4-piperazin-1-ylquinazolin-2-amine.
What is the SMILES notation for 7-(furan-2-yl)-4-piperazin-1-ylquinazolin-2-amine?
The canonical SMILES for 7-(furan-2-yl)-4-piperazin-1-ylquinazolin-2-amine is Nc1nc(N2CCNCC2)c2ccc(-c3ccco3)cc2n1.
What is the InChIKey of 7-(furan-2-yl)-4-piperazin-1-ylquinazolin-2-amine?
The InChIKey is UBEJREHBDACTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c17-16-19-13-10-11(14-2-1-9-22-14)3-4-12(13)15(20-16)21-7-5-18-6-8-21/h1-4,9-10,18H,5-8H2,(H2,17,19,20).
What are the key properties of 7-(furan-2-yl)-4-piperazin-1-ylquinazolin-2-amine?
7-(furan-2-yl)-4-piperazin-1-ylquinazolin-2-amine has a molecular weight of 295.35 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(furan-2-yl)-4-piperazin-1-ylquinazolin-2-amine is sourced from PubChem (CID 56835171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).