2-[(2-phenylquinazolin-4-yl)amino]ethanol;hydrochloride

C16H16ClN3O — CID 2789481

IUPAC2-[(2-phenylquinazolin-4-yl)amino]ethanol;hydrochloride
SMILESCl.OCCNc1nc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C16H15N3O.ClH/c20-11-10-17-16-13-8-4-5-9-14(13)18-15(19-16)12-6-2-1-3-7-12;/h1-9,20H,10-11H2,(H,17,18,19);1H
InChIKeyLCLBDALMYOIJTF-UHFFFAOYSA-N
MW301.78 g/mol
LogP3.12
Rot. Bonds4

About 2-[(2-phenylquinazolin-4-yl)amino]ethanol;hydrochloride

2-[(2-phenylquinazolin-4-yl)amino]ethanol;hydrochloride (PubChem CID 2789481) has the molecular formula C16H16ClN3O and a molecular weight of 301.78 g/mol. Its IUPAC name is 2-[(2-phenylquinazolin-4-yl)amino]ethanol;hydrochloride.

Molecular Properties

Compound Name2-[(2-phenylquinazolin-4-yl)amino]ethanol;hydrochloride
PubChem CID2789481
Molecular FormulaC16H16ClN3O
Molecular Weight301.78 g/mol
Exact Mass301.10
IUPAC Name2-[(2-phenylquinazolin-4-yl)amino]ethanol;hydrochloride
SMILESCl.OCCNc1nc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C16H15N3O.ClH/c20-11-10-17-16-13-8-4-5-9-14(13)18-15(19-16)12-6-2-1-3-7-12;/h1-9,20H,10-11H2,(H,17,18,19);1H
InChIKeyLCLBDALMYOIJTF-UHFFFAOYSA-N
XLogP3.12
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.78
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-phenylquinazolin-4-yl)amino]ethanol;hydrochloride?
The IUPAC name of 2-[(2-phenylquinazolin-4-yl)amino]ethanol;hydrochloride (CID 2789481) is 2-[(2-phenylquinazolin-4-yl)amino]ethanol;hydrochloride.
What is the SMILES notation for 2-[(2-phenylquinazolin-4-yl)amino]ethanol;hydrochloride?
The canonical SMILES for 2-[(2-phenylquinazolin-4-yl)amino]ethanol;hydrochloride is Cl.OCCNc1nc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of 2-[(2-phenylquinazolin-4-yl)amino]ethanol;hydrochloride?
The InChIKey is LCLBDALMYOIJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O.ClH/c20-11-10-17-16-13-8-4-5-9-14(13)18-15(19-16)12-6-2-1-3-7-12;/h1-9,20H,10-11H2,(H,17,18,19);1H.
What are the key properties of 2-[(2-phenylquinazolin-4-yl)amino]ethanol;hydrochloride?
2-[(2-phenylquinazolin-4-yl)amino]ethanol;hydrochloride has a molecular weight of 301.78 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-phenylquinazolin-4-yl)amino]ethanol;hydrochloride is sourced from PubChem (CID 2789481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).