4-[(4-aminoquinazolin-2-yl)amino]phenol;hydrochloride

C14H13ClN4O — CID 18560677

IUPAC4-[(4-aminoquinazolin-2-yl)amino]phenol;hydrochloride
SMILESCl.Nc1nc(Nc2ccc(O)cc2)nc2ccccc12
InChIInChI=1S/C14H12N4O.ClH/c15-13-11-3-1-2-4-12(11)17-14(18-13)16-9-5-7-10(19)8-6-9;/h1-8,19H,(H3,15,16,17,18);1H
InChIKeyJGROVMQVUXHQKW-UHFFFAOYSA-N
MW288.74 g/mol
LogP3.08
Rot. Bonds2

About 4-[(4-aminoquinazolin-2-yl)amino]phenol;hydrochloride

4-[(4-aminoquinazolin-2-yl)amino]phenol;hydrochloride (PubChem CID 18560677) has the molecular formula C14H13ClN4O and a molecular weight of 288.74 g/mol. Its IUPAC name is 4-[(4-aminoquinazolin-2-yl)amino]phenol;hydrochloride.

Molecular Properties

Compound Name4-[(4-aminoquinazolin-2-yl)amino]phenol;hydrochloride
PubChem CID18560677
Molecular FormulaC14H13ClN4O
Molecular Weight288.74 g/mol
Exact Mass288.08
IUPAC Name4-[(4-aminoquinazolin-2-yl)amino]phenol;hydrochloride
SMILESCl.Nc1nc(Nc2ccc(O)cc2)nc2ccccc12
InChIInChI=1S/C14H12N4O.ClH/c15-13-11-3-1-2-4-12(11)17-14(18-13)16-9-5-7-10(19)8-6-9;/h1-8,19H,(H3,15,16,17,18);1H
InChIKeyJGROVMQVUXHQKW-UHFFFAOYSA-N
XLogP3.08
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.74
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-aminoquinazolin-2-yl)amino]phenol;hydrochloride?
The IUPAC name of 4-[(4-aminoquinazolin-2-yl)amino]phenol;hydrochloride (CID 18560677) is 4-[(4-aminoquinazolin-2-yl)amino]phenol;hydrochloride.
What is the SMILES notation for 4-[(4-aminoquinazolin-2-yl)amino]phenol;hydrochloride?
The canonical SMILES for 4-[(4-aminoquinazolin-2-yl)amino]phenol;hydrochloride is Cl.Nc1nc(Nc2ccc(O)cc2)nc2ccccc12.
What is the InChIKey of 4-[(4-aminoquinazolin-2-yl)amino]phenol;hydrochloride?
The InChIKey is JGROVMQVUXHQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O.ClH/c15-13-11-3-1-2-4-12(11)17-14(18-13)16-9-5-7-10(19)8-6-9;/h1-8,19H,(H3,15,16,17,18);1H.
What are the key properties of 4-[(4-aminoquinazolin-2-yl)amino]phenol;hydrochloride?
4-[(4-aminoquinazolin-2-yl)amino]phenol;hydrochloride has a molecular weight of 288.74 g/mol, XLogP of 3.08, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-aminoquinazolin-2-yl)amino]phenol;hydrochloride is sourced from PubChem (CID 18560677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).