3-[[6-(4-hydroxyphenyl)quinazolin-4-yl]amino]phenol

C20H15N3O2 — CID 71610585

IUPAC3-[[6-(4-hydroxyphenyl)quinazolin-4-yl]amino]phenol
SMILESOc1ccc(-c2ccc3ncnc(Nc4cccc(O)c4)c3c2)cc1
InChIInChI=1S/C20H15N3O2/c24-16-7-4-13(5-8-16)14-6-9-19-18(10-14)20(22-12-21-19)23-15-2-1-3-17(25)11-15/h1-12,24-25H,(H,21,22,23)
InChIKeyFXYFPGHBBFPMEI-UHFFFAOYSA-N
MW329.36 g/mol
LogP4.45
Rot. Bonds3

About 3-[[6-(4-hydroxyphenyl)quinazolin-4-yl]amino]phenol

3-[[6-(4-hydroxyphenyl)quinazolin-4-yl]amino]phenol (PubChem CID 71610585) has the molecular formula C20H15N3O2 and a molecular weight of 329.36 g/mol. Its IUPAC name is 3-[[6-(4-hydroxyphenyl)quinazolin-4-yl]amino]phenol.

Molecular Properties

Compound Name3-[[6-(4-hydroxyphenyl)quinazolin-4-yl]amino]phenol
PubChem CID71610585
Molecular FormulaC20H15N3O2
Molecular Weight329.36 g/mol
Exact Mass329.12
IUPAC Name3-[[6-(4-hydroxyphenyl)quinazolin-4-yl]amino]phenol
SMILESOc1ccc(-c2ccc3ncnc(Nc4cccc(O)c4)c3c2)cc1
InChIInChI=1S/C20H15N3O2/c24-16-7-4-13(5-8-16)14-6-9-19-18(10-14)20(22-12-21-19)23-15-2-1-3-17(25)11-15/h1-12,24-25H,(H,21,22,23)
InChIKeyFXYFPGHBBFPMEI-UHFFFAOYSA-N
XLogP4.45
TPSA78.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 54.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[6-(4-hydroxyphenyl)quinazolin-4-yl]amino]phenol?
The IUPAC name of 3-[[6-(4-hydroxyphenyl)quinazolin-4-yl]amino]phenol (CID 71610585) is 3-[[6-(4-hydroxyphenyl)quinazolin-4-yl]amino]phenol.
What is the SMILES notation for 3-[[6-(4-hydroxyphenyl)quinazolin-4-yl]amino]phenol?
The canonical SMILES for 3-[[6-(4-hydroxyphenyl)quinazolin-4-yl]amino]phenol is Oc1ccc(-c2ccc3ncnc(Nc4cccc(O)c4)c3c2)cc1.
What is the InChIKey of 3-[[6-(4-hydroxyphenyl)quinazolin-4-yl]amino]phenol?
The InChIKey is FXYFPGHBBFPMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2/c24-16-7-4-13(5-8-16)14-6-9-19-18(10-14)20(22-12-21-19)23-15-2-1-3-17(25)11-15/h1-12,24-25H,(H,21,22,23).
What are the key properties of 3-[[6-(4-hydroxyphenyl)quinazolin-4-yl]amino]phenol?
3-[[6-(4-hydroxyphenyl)quinazolin-4-yl]amino]phenol has a molecular weight of 329.36 g/mol, XLogP of 4.45, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(4-hydroxyphenyl)quinazolin-4-yl]amino]phenol is sourced from PubChem (CID 71610585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).