2-[3-(4-aminoquinazolin-6-yl)phenyl]ethanol

C16H15N3O — CID 90016579

IUPAC2-[3-(4-aminoquinazolin-6-yl)phenyl]ethanol
SMILESNc1ncnc2ccc(-c3cccc(CCO)c3)cc12
InChIInChI=1S/C16H15N3O/c17-16-14-9-13(4-5-15(14)18-10-19-16)12-3-1-2-11(8-12)6-7-20/h1-5,8-10,20H,6-7H2,(H2,17,18,19)
InChIKeyKGRFOAULJKVFKM-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.41
Rot. Bonds3

About 2-[3-(4-aminoquinazolin-6-yl)phenyl]ethanol

2-[3-(4-aminoquinazolin-6-yl)phenyl]ethanol (PubChem CID 90016579) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 2-[3-(4-aminoquinazolin-6-yl)phenyl]ethanol.

Molecular Properties

Compound Name2-[3-(4-aminoquinazolin-6-yl)phenyl]ethanol
PubChem CID90016579
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name2-[3-(4-aminoquinazolin-6-yl)phenyl]ethanol
SMILESNc1ncnc2ccc(-c3cccc(CCO)c3)cc12
InChIInChI=1S/C16H15N3O/c17-16-14-9-13(4-5-15(14)18-10-19-16)12-3-1-2-11(8-12)6-7-20/h1-5,8-10,20H,6-7H2,(H2,17,18,19)
InChIKeyKGRFOAULJKVFKM-UHFFFAOYSA-N
XLogP2.41
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[3-(4-aminoquinazolin-6-yl)phenyl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-aminoquinazolin-6-yl)phenyl]ethanol?
The IUPAC name of 2-[3-(4-aminoquinazolin-6-yl)phenyl]ethanol (CID 90016579) is 2-[3-(4-aminoquinazolin-6-yl)phenyl]ethanol.
What is the SMILES notation for 2-[3-(4-aminoquinazolin-6-yl)phenyl]ethanol?
The canonical SMILES for 2-[3-(4-aminoquinazolin-6-yl)phenyl]ethanol is Nc1ncnc2ccc(-c3cccc(CCO)c3)cc12.
What is the InChIKey of 2-[3-(4-aminoquinazolin-6-yl)phenyl]ethanol?
The InChIKey is KGRFOAULJKVFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c17-16-14-9-13(4-5-15(14)18-10-19-16)12-3-1-2-11(8-12)6-7-20/h1-5,8-10,20H,6-7H2,(H2,17,18,19).
What are the key properties of 2-[3-(4-aminoquinazolin-6-yl)phenyl]ethanol?
2-[3-(4-aminoquinazolin-6-yl)phenyl]ethanol has a molecular weight of 265.32 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-aminoquinazolin-6-yl)phenyl]ethanol is sourced from PubChem (CID 90016579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).