3-[[4-(furan-2-ylmethylamino)quinazolin-2-yl]amino]phenol

C19H16N4O2 — CID 769546

IUPAC3-[[4-(furan-2-ylmethylamino)quinazolin-2-yl]amino]phenol
SMILESOc1cccc(Nc2nc(NCc3ccco3)c3ccccc3n2)c1
InChIInChI=1S/C19H16N4O2/c24-14-6-3-5-13(11-14)21-19-22-17-9-2-1-8-16(17)18(23-19)20-12-15-7-4-10-25-15/h1-11,24H,12H2,(H2,20,21,22,23)
InChIKeyPRZVJFFQEBFBKT-UHFFFAOYSA-N
MW332.36 g/mol
LogP4.28
Rot. Bonds5

About 3-[[4-(furan-2-ylmethylamino)quinazolin-2-yl]amino]phenol

3-[[4-(furan-2-ylmethylamino)quinazolin-2-yl]amino]phenol (PubChem CID 769546) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is 3-[[4-(furan-2-ylmethylamino)quinazolin-2-yl]amino]phenol.

Molecular Properties

Compound Name3-[[4-(furan-2-ylmethylamino)quinazolin-2-yl]amino]phenol
PubChem CID769546
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC Name3-[[4-(furan-2-ylmethylamino)quinazolin-2-yl]amino]phenol
SMILESOc1cccc(Nc2nc(NCc3ccco3)c3ccccc3n2)c1
InChIInChI=1S/C19H16N4O2/c24-14-6-3-5-13(11-14)21-19-22-17-9-2-1-8-16(17)18(23-19)20-12-15-7-4-10-25-15/h1-11,24H,12H2,(H2,20,21,22,23)
InChIKeyPRZVJFFQEBFBKT-UHFFFAOYSA-N
XLogP4.28
TPSA83.21 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 54.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'melamine_A(3)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(furan-2-ylmethylamino)quinazolin-2-yl]amino]phenol?
The IUPAC name of 3-[[4-(furan-2-ylmethylamino)quinazolin-2-yl]amino]phenol (CID 769546) is 3-[[4-(furan-2-ylmethylamino)quinazolin-2-yl]amino]phenol.
What is the SMILES notation for 3-[[4-(furan-2-ylmethylamino)quinazolin-2-yl]amino]phenol?
The canonical SMILES for 3-[[4-(furan-2-ylmethylamino)quinazolin-2-yl]amino]phenol is Oc1cccc(Nc2nc(NCc3ccco3)c3ccccc3n2)c1.
What is the InChIKey of 3-[[4-(furan-2-ylmethylamino)quinazolin-2-yl]amino]phenol?
The InChIKey is PRZVJFFQEBFBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c24-14-6-3-5-13(11-14)21-19-22-17-9-2-1-8-16(17)18(23-19)20-12-15-7-4-10-25-15/h1-11,24H,12H2,(H2,20,21,22,23).
What are the key properties of 3-[[4-(furan-2-ylmethylamino)quinazolin-2-yl]amino]phenol?
3-[[4-(furan-2-ylmethylamino)quinazolin-2-yl]amino]phenol has a molecular weight of 332.36 g/mol, XLogP of 4.28, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(furan-2-ylmethylamino)quinazolin-2-yl]amino]phenol is sourced from PubChem (CID 769546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).