3-[(6-phenylquinazolin-4-yl)amino]phenol

C20H15N3O — CID 86766667

IUPAC3-[(6-phenylquinazolin-4-yl)amino]phenol
SMILESOc1cccc(Nc2ncnc3ccc(-c4ccccc4)cc23)c1
InChIInChI=1S/C20H15N3O/c24-17-8-4-7-16(12-17)23-20-18-11-15(14-5-2-1-3-6-14)9-10-19(18)21-13-22-20/h1-13,24H,(H,21,22,23)
InChIKeyPFKSSDJKCCMEPE-UHFFFAOYSA-N
MW313.36 g/mol
LogP4.75
Rot. Bonds3

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

3-[(6-phenylquinazolin-4-yl)amino]phenol (PubChem CID 86766667) has the molecular formula C20H15N3O and a molecular weight of 313.36 g/mol. Its IUPAC name is 3-[(6-phenylquinazolin-4-yl)amino]phenol.

Molecular Properties

Compound Name3-[(6-phenylquinazolin-4-yl)amino]phenol
PubChem CID86766667
Molecular FormulaC20H15N3O
Molecular Weight313.36 g/mol
Exact Mass313.12
IUPAC Name3-[(6-phenylquinazolin-4-yl)amino]phenol
SMILESOc1cccc(Nc2ncnc3ccc(-c4ccccc4)cc23)c1
InChIInChI=1S/C20H15N3O/c24-17-8-4-7-16(12-17)23-20-18-11-15(14-5-2-1-3-6-14)9-10-19(18)21-13-22-20/h1-13,24H,(H,21,22,23)
InChIKeyPFKSSDJKCCMEPE-UHFFFAOYSA-N
XLogP4.75
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-phenylquinazolin-4-yl)amino]phenol?
The IUPAC name of 3-[(6-phenylquinazolin-4-yl)amino]phenol (CID 86766667) is 3-[(6-phenylquinazolin-4-yl)amino]phenol.
What is the SMILES notation for 3-[(6-phenylquinazolin-4-yl)amino]phenol?
The canonical SMILES for 3-[(6-phenylquinazolin-4-yl)amino]phenol is Oc1cccc(Nc2ncnc3ccc(-c4ccccc4)cc23)c1.
What is the InChIKey of 3-[(6-phenylquinazolin-4-yl)amino]phenol?
The InChIKey is PFKSSDJKCCMEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O/c24-17-8-4-7-16(12-17)23-20-18-11-15(14-5-2-1-3-6-14)9-10-19(18)21-13-22-20/h1-13,24H,(H,21,22,23).
What are the key properties of 3-[(6-phenylquinazolin-4-yl)amino]phenol?
3-[(6-phenylquinazolin-4-yl)amino]phenol has a molecular weight of 313.36 g/mol, XLogP of 4.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-phenylquinazolin-4-yl)amino]phenol is sourced from PubChem (CID 86766667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).