2-[(7-aminoquinazolin-4-yl)amino]-2-phenylethanol

C16H16N4O — CID 65336697

IUPAC2-[(7-aminoquinazolin-4-yl)amino]-2-phenylethanol
SMILESNc1ccc2c(NC(CO)c3ccccc3)ncnc2c1
InChIInChI=1S/C16H16N4O/c17-12-6-7-13-14(8-12)18-10-19-16(13)20-15(9-21)11-4-2-1-3-5-11/h1-8,10,15,21H,9,17H2,(H,18,19,20)
InChIKeyNJYSSMUDKZCHFG-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.36
Rot. Bonds4

About 2-[(7-aminoquinazolin-4-yl)amino]-2-phenylethanol

2-[(7-aminoquinazolin-4-yl)amino]-2-phenylethanol (PubChem CID 65336697) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-[(7-aminoquinazolin-4-yl)amino]-2-phenylethanol.

Molecular Properties

Compound Name2-[(7-aminoquinazolin-4-yl)amino]-2-phenylethanol
PubChem CID65336697
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name2-[(7-aminoquinazolin-4-yl)amino]-2-phenylethanol
SMILESNc1ccc2c(NC(CO)c3ccccc3)ncnc2c1
InChIInChI=1S/C16H16N4O/c17-12-6-7-13-14(8-12)18-10-19-16(13)20-15(9-21)11-4-2-1-3-5-11/h1-8,10,15,21H,9,17H2,(H,18,19,20)
InChIKeyNJYSSMUDKZCHFG-UHFFFAOYSA-N
XLogP2.36
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[(7-aminoquinazolin-4-yl)amino]-2-phenylethanol 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-[(7-aminoquinazolin-4-yl)amino]-2-phenylethanol?
The IUPAC name of 2-[(7-aminoquinazolin-4-yl)amino]-2-phenylethanol (CID 65336697) is 2-[(7-aminoquinazolin-4-yl)amino]-2-phenylethanol.
What is the SMILES notation for 2-[(7-aminoquinazolin-4-yl)amino]-2-phenylethanol?
The canonical SMILES for 2-[(7-aminoquinazolin-4-yl)amino]-2-phenylethanol is Nc1ccc2c(NC(CO)c3ccccc3)ncnc2c1.
What is the InChIKey of 2-[(7-aminoquinazolin-4-yl)amino]-2-phenylethanol?
The InChIKey is NJYSSMUDKZCHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c17-12-6-7-13-14(8-12)18-10-19-16(13)20-15(9-21)11-4-2-1-3-5-11/h1-8,10,15,21H,9,17H2,(H,18,19,20).
What are the key properties of 2-[(7-aminoquinazolin-4-yl)amino]-2-phenylethanol?
2-[(7-aminoquinazolin-4-yl)amino]-2-phenylethanol has a molecular weight of 280.33 g/mol, XLogP of 2.36, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-aminoquinazolin-4-yl)amino]-2-phenylethanol is sourced from PubChem (CID 65336697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).