6-(furan-2-yl)-N-(furan-3-ylmethyl)quinazolin-4-amine

C17H13N3O2 — CID 45485153

IUPAC6-(furan-2-yl)-N-(furan-3-ylmethyl)quinazolin-4-amine
SMILESc1coc(-c2ccc3ncnc(NCc4ccoc4)c3c2)c1
InChIInChI=1S/C17H13N3O2/c1-2-16(22-6-1)13-3-4-15-14(8-13)17(20-11-19-15)18-9-12-5-7-21-10-12/h1-8,10-11H,9H2,(H,18,19,20)
InChIKeyJSJMXXGKMBOICR-UHFFFAOYSA-N
MW291.31 g/mol
LogP4.09
Rot. Bonds4

About 6-(furan-2-yl)-N-(furan-3-ylmethyl)quinazolin-4-amine

6-(furan-2-yl)-N-(furan-3-ylmethyl)quinazolin-4-amine (PubChem CID 45485153) has the molecular formula C17H13N3O2 and a molecular weight of 291.31 g/mol. Its IUPAC name is 6-(furan-2-yl)-N-(furan-3-ylmethyl)quinazolin-4-amine.

Molecular Properties

Compound Name6-(furan-2-yl)-N-(furan-3-ylmethyl)quinazolin-4-amine
PubChem CID45485153
Molecular FormulaC17H13N3O2
Molecular Weight291.31 g/mol
Exact Mass291.10
IUPAC Name6-(furan-2-yl)-N-(furan-3-ylmethyl)quinazolin-4-amine
SMILESc1coc(-c2ccc3ncnc(NCc4ccoc4)c3c2)c1
InChIInChI=1S/C17H13N3O2/c1-2-16(22-6-1)13-3-4-15-14(8-13)17(20-11-19-15)18-9-12-5-7-21-10-12/h1-8,10-11H,9H2,(H,18,19,20)
InChIKeyJSJMXXGKMBOICR-UHFFFAOYSA-N
XLogP4.09
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-yl)-N-(furan-3-ylmethyl)quinazolin-4-amine?
The IUPAC name of 6-(furan-2-yl)-N-(furan-3-ylmethyl)quinazolin-4-amine (CID 45485153) is 6-(furan-2-yl)-N-(furan-3-ylmethyl)quinazolin-4-amine.
What is the SMILES notation for 6-(furan-2-yl)-N-(furan-3-ylmethyl)quinazolin-4-amine?
The canonical SMILES for 6-(furan-2-yl)-N-(furan-3-ylmethyl)quinazolin-4-amine is c1coc(-c2ccc3ncnc(NCc4ccoc4)c3c2)c1.
What is the InChIKey of 6-(furan-2-yl)-N-(furan-3-ylmethyl)quinazolin-4-amine?
The InChIKey is JSJMXXGKMBOICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2/c1-2-16(22-6-1)13-3-4-15-14(8-13)17(20-11-19-15)18-9-12-5-7-21-10-12/h1-8,10-11H,9H2,(H,18,19,20).
What are the key properties of 6-(furan-2-yl)-N-(furan-3-ylmethyl)quinazolin-4-amine?
6-(furan-2-yl)-N-(furan-3-ylmethyl)quinazolin-4-amine has a molecular weight of 291.31 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-yl)-N-(furan-3-ylmethyl)quinazolin-4-amine is sourced from PubChem (CID 45485153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).