4-[(2-phenylquinazolin-4-yl)amino]phenol

C20H15N3O — CID 693198

IUPAC4-[(2-phenylquinazolin-4-yl)amino]phenol
SMILESOc1ccc(Nc2nc(-c3ccccc3)nc3ccccc23)cc1
InChIInChI=1S/C20H15N3O/c24-16-12-10-15(11-13-16)21-20-17-8-4-5-9-18(17)22-19(23-20)14-6-2-1-3-7-14/h1-13,24H,(H,21,22,23)
InChIKeyHIKSDBXOPYKUQF-UHFFFAOYSA-N
MW313.36 g/mol
LogP4.75
Rot. Bonds3

About 4-[(2-phenylquinazolin-4-yl)amino]phenol

4-[(2-phenylquinazolin-4-yl)amino]phenol (PubChem CID 693198) has the molecular formula C20H15N3O and a molecular weight of 313.36 g/mol. Its IUPAC name is 4-[(2-phenylquinazolin-4-yl)amino]phenol.

Molecular Properties

Compound Name4-[(2-phenylquinazolin-4-yl)amino]phenol
PubChem CID693198
Molecular FormulaC20H15N3O
Molecular Weight313.36 g/mol
Exact Mass313.12
IUPAC Name4-[(2-phenylquinazolin-4-yl)amino]phenol
SMILESOc1ccc(Nc2nc(-c3ccccc3)nc3ccccc23)cc1
InChIInChI=1S/C20H15N3O/c24-16-12-10-15(11-13-16)21-20-17-8-4-5-9-18(17)22-19(23-20)14-6-2-1-3-7-14/h1-13,24H,(H,21,22,23)
InChIKeyHIKSDBXOPYKUQF-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

Computed Properties (RDKit)

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

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Related Compounds

Verubulin
CID 11414799
4-(9-Acridinylamino)phenol
CID 148949
N-(4-phenoxyphenyl)quinazolin-4-amine
CID 712152
2-(4-(Benzylamino)quinazolin-2-yl)phenol
CID 915456
6-methoxy-N-phenylquinazolin-4-amine
CID 5328186
4-{[4-(Benzyloxy)phenyl]amino}quinazolin-6-ol
CID 5329481
2-{4-[(3s)-Pyrrolidin-3-Ylamino]quinazolin-2-Yl}phenol
CID 135566381
(2-Fluoromethyl-quinazolin-4-yl)-(4-methoxy-phenyl)-methyl-amine
CID 11208709
2-chloro-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine
CID 11738112
3-[(2-Phenylquinazolin-4-yl)amino]phenol
CID 693197
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

Frequently Asked Questions

What is the IUPAC name of 4-[(2-phenylquinazolin-4-yl)amino]phenol?
The IUPAC name of 4-[(2-phenylquinazolin-4-yl)amino]phenol (CID 693198) is 4-[(2-phenylquinazolin-4-yl)amino]phenol.
What is the SMILES notation for 4-[(2-phenylquinazolin-4-yl)amino]phenol?
The canonical SMILES for 4-[(2-phenylquinazolin-4-yl)amino]phenol is Oc1ccc(Nc2nc(-c3ccccc3)nc3ccccc23)cc1.
What is the InChIKey of 4-[(2-phenylquinazolin-4-yl)amino]phenol?
The InChIKey is HIKSDBXOPYKUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O/c24-16-12-10-15(11-13-16)21-20-17-8-4-5-9-18(17)22-19(23-20)14-6-2-1-3-7-14/h1-13,24H,(H,21,22,23).
What are the key properties of 4-[(2-phenylquinazolin-4-yl)amino]phenol?
4-[(2-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 4-[(2-phenylquinazolin-4-yl)amino]phenol is sourced from PubChem (CID 693198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).