6-(furan-3-yl)-N-piperidin-4-ylquinazolin-4-amine

C17H18N4O — CID 3234909

IUPAC6-(furan-3-yl)-N-piperidin-4-ylquinazolin-4-amine
SMILESc1nc(NC2CCNCC2)c2cc(-c3ccoc3)ccc2n1
InChIInChI=1S/C17H18N4O/c1-2-16-15(9-12(1)13-5-8-22-10-13)17(20-11-19-16)21-14-3-6-18-7-4-14/h1-2,5,8-11,14,18H,3-4,6-7H2,(H,19,20,21)
InChIKeyZYOSIJYJVOECMP-UHFFFAOYSA-N
MW294.36 g/mol
LogP3.05
Rot. Bonds3

About 6-(furan-3-yl)-N-piperidin-4-ylquinazolin-4-amine

6-(furan-3-yl)-N-piperidin-4-ylquinazolin-4-amine (PubChem CID 3234909) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 6-(furan-3-yl)-N-piperidin-4-ylquinazolin-4-amine.

Molecular Properties

Compound Name6-(furan-3-yl)-N-piperidin-4-ylquinazolin-4-amine
PubChem CID3234909
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name6-(furan-3-yl)-N-piperidin-4-ylquinazolin-4-amine
SMILESc1nc(NC2CCNCC2)c2cc(-c3ccoc3)ccc2n1
InChIInChI=1S/C17H18N4O/c1-2-16-15(9-12(1)13-5-8-22-10-13)17(20-11-19-16)21-14-3-6-18-7-4-14/h1-2,5,8-11,14,18H,3-4,6-7H2,(H,19,20,21)
InChIKeyZYOSIJYJVOECMP-UHFFFAOYSA-N
XLogP3.05
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(furan-3-yl)-N-piperidin-4-ylquinazolin-4-amine?
The IUPAC name of 6-(furan-3-yl)-N-piperidin-4-ylquinazolin-4-amine (CID 3234909) is 6-(furan-3-yl)-N-piperidin-4-ylquinazolin-4-amine.
What is the SMILES notation for 6-(furan-3-yl)-N-piperidin-4-ylquinazolin-4-amine?
The canonical SMILES for 6-(furan-3-yl)-N-piperidin-4-ylquinazolin-4-amine is c1nc(NC2CCNCC2)c2cc(-c3ccoc3)ccc2n1.
What is the InChIKey of 6-(furan-3-yl)-N-piperidin-4-ylquinazolin-4-amine?
The InChIKey is ZYOSIJYJVOECMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-2-16-15(9-12(1)13-5-8-22-10-13)17(20-11-19-16)21-14-3-6-18-7-4-14/h1-2,5,8-11,14,18H,3-4,6-7H2,(H,19,20,21).
What are the key properties of 6-(furan-3-yl)-N-piperidin-4-ylquinazolin-4-amine?
6-(furan-3-yl)-N-piperidin-4-ylquinazolin-4-amine has a molecular weight of 294.36 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-3-yl)-N-piperidin-4-ylquinazolin-4-amine is sourced from PubChem (CID 3234909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).