2-[4-(4-hydroxyanilino)quinazolin-2-yl]phenol

C20H15N3O2 — CID 951145

IUPAC2-[4-(4-hydroxyanilino)quinazolin-2-yl]phenol
SMILESOc1ccc(Nc2nc(-c3ccccc3O)nc3ccccc23)cc1
InChIInChI=1S/C20H15N3O2/c24-14-11-9-13(10-12-14)21-19-15-5-1-3-7-17(15)22-20(23-19)16-6-2-4-8-18(16)25/h1-12,24-25H,(H,21,22,23)
InChIKeyZTLMXFXXPNJARJ-UHFFFAOYSA-N
MW329.36 g/mol
LogP4.45
Rot. Bonds3

About 2-[4-(4-hydroxyanilino)quinazolin-2-yl]phenol

2-[4-(4-hydroxyanilino)quinazolin-2-yl]phenol (PubChem CID 951145) has the molecular formula C20H15N3O2 and a molecular weight of 329.36 g/mol. Its IUPAC name is 2-[4-(4-hydroxyanilino)quinazolin-2-yl]phenol.

Molecular Properties

Compound Name2-[4-(4-hydroxyanilino)quinazolin-2-yl]phenol
PubChem CID951145
Molecular FormulaC20H15N3O2
Molecular Weight329.36 g/mol
Exact Mass329.12
IUPAC Name2-[4-(4-hydroxyanilino)quinazolin-2-yl]phenol
SMILESOc1ccc(Nc2nc(-c3ccccc3O)nc3ccccc23)cc1
InChIInChI=1S/C20H15N3O2/c24-14-11-9-13(10-12-14)21-19-15-5-1-3-7-17(15)22-20(23-19)16-6-2-4-8-18(16)25/h1-12,24-25H,(H,21,22,23)
InChIKeyZTLMXFXXPNJARJ-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

4-(9-Acridinylamino)phenol
CID 148949
N-(4-phenoxyphenyl)quinazolin-4-amine
CID 712152
2-(4-(Benzylamino)quinazolin-2-yl)phenol
CID 915456
4-{[4-(Benzyloxy)phenyl]amino}quinazolin-6-ol
CID 5329481
2-{4-[(3s)-Pyrrolidin-3-Ylamino]quinazolin-2-Yl}phenol
CID 135566381
2-[(2,3-Dimethylphenyl)amino]-4-methylquinolin-5-ol
CID 135521448
(6Z)-6-[4-(3-chloroanilino)-6-methyl-1H-pyrimidin-2-ylidene]cyclohexa-2,4-dien-1-one
CID 719251
3-[(2-Phenylquinazolin-4-yl)amino]phenol
CID 693197
4-[(2-Phenyl-4-quinazolinyl)amino]phenol
CID 693198
2-[4-(4-Fluoro-phenylamino)-6-methyl-pyrimidin-2-yl]-phenol
CID 719248
2-{4-[(Pyridin-3-ylmethyl)-amino]-quinazolin-2-yl}-phenol
CID 935994
4-[[2-(2-Fluorophenyl)quinazolin-4-yl]amino]phenol
CID 2174842

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-hydroxyanilino)quinazolin-2-yl]phenol?
The IUPAC name of 2-[4-(4-hydroxyanilino)quinazolin-2-yl]phenol (CID 951145) is 2-[4-(4-hydroxyanilino)quinazolin-2-yl]phenol.
What is the SMILES notation for 2-[4-(4-hydroxyanilino)quinazolin-2-yl]phenol?
The canonical SMILES for 2-[4-(4-hydroxyanilino)quinazolin-2-yl]phenol is Oc1ccc(Nc2nc(-c3ccccc3O)nc3ccccc23)cc1.
What is the InChIKey of 2-[4-(4-hydroxyanilino)quinazolin-2-yl]phenol?
The InChIKey is ZTLMXFXXPNJARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2/c24-14-11-9-13(10-12-14)21-19-15-5-1-3-7-17(15)22-20(23-19)16-6-2-4-8-18(16)25/h1-12,24-25H,(H,21,22,23).
What are the key properties of 2-[4-(4-hydroxyanilino)quinazolin-2-yl]phenol?
2-[4-(4-hydroxyanilino)quinazolin-2-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 2-[4-(4-hydroxyanilino)quinazolin-2-yl]phenol is sourced from PubChem (CID 951145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).