3-[4-(3-hydroxyanilino)quinazolin-6-yl]phenol

C20H15N3O2 — CID 71611101

IUPAC3-[4-(3-hydroxyanilino)quinazolin-6-yl]phenol
SMILESOc1cccc(Nc2ncnc3ccc(-c4cccc(O)c4)cc23)c1
InChIInChI=1S/C20H15N3O2/c24-16-5-1-3-13(9-16)14-7-8-19-18(10-14)20(22-12-21-19)23-15-4-2-6-17(25)11-15/h1-12,24-25H,(H,21,22,23)
InChIKeyJLJIZMYJZWBZBY-UHFFFAOYSA-N
MW329.36 g/mol
LogP4.45
Rot. Bonds3

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

3-[4-(3-hydroxyanilino)quinazolin-6-yl]phenol (PubChem CID 71611101) has the molecular formula C20H15N3O2 and a molecular weight of 329.36 g/mol. Its IUPAC name is 3-[4-(3-hydroxyanilino)quinazolin-6-yl]phenol.

Molecular Properties

Compound Name3-[4-(3-hydroxyanilino)quinazolin-6-yl]phenol
PubChem CID71611101
Molecular FormulaC20H15N3O2
Molecular Weight329.36 g/mol
Exact Mass329.12
IUPAC Name3-[4-(3-hydroxyanilino)quinazolin-6-yl]phenol
SMILESOc1cccc(Nc2ncnc3ccc(-c4cccc(O)c4)cc23)c1
InChIInChI=1S/C20H15N3O2/c24-16-5-1-3-13(9-16)14-7-8-19-18(10-14)20(22-12-21-19)23-15-4-2-6-17(25)11-15/h1-12,24-25H,(H,21,22,23)
InChIKeyJLJIZMYJZWBZBY-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-[4-(3-hydroxyanilino)quinazolin-6-yl]phenol?
The IUPAC name of 3-[4-(3-hydroxyanilino)quinazolin-6-yl]phenol (CID 71611101) is 3-[4-(3-hydroxyanilino)quinazolin-6-yl]phenol.
What is the SMILES notation for 3-[4-(3-hydroxyanilino)quinazolin-6-yl]phenol?
The canonical SMILES for 3-[4-(3-hydroxyanilino)quinazolin-6-yl]phenol is Oc1cccc(Nc2ncnc3ccc(-c4cccc(O)c4)cc23)c1.
What is the InChIKey of 3-[4-(3-hydroxyanilino)quinazolin-6-yl]phenol?
The InChIKey is JLJIZMYJZWBZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2/c24-16-5-1-3-13(9-16)14-7-8-19-18(10-14)20(22-12-21-19)23-15-4-2-6-17(25)11-15/h1-12,24-25H,(H,21,22,23).
What are the key properties of 3-[4-(3-hydroxyanilino)quinazolin-6-yl]phenol?
3-[4-(3-hydroxyanilino)quinazolin-6-yl]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-[4-(3-hydroxyanilino)quinazolin-6-yl]phenol is sourced from PubChem (CID 71611101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).