1-[(6-bromo-2-phenylquinazolin-4-yl)amino]propan-2-ol

C17H16BrN3O — CID 23906351

IUPAC1-[(6-bromo-2-phenylquinazolin-4-yl)amino]propan-2-ol
SMILESCC(O)CNc1nc(-c2ccccc2)nc2ccc(Br)cc12
InChIInChI=1S/C17H16BrN3O/c1-11(22)10-19-17-14-9-13(18)7-8-15(14)20-16(21-17)12-5-3-2-4-6-12/h2-9,11,22H,10H2,1H3,(H,19,20,21)
InChIKeyXFGVLAOLORWMIR-UHFFFAOYSA-N
MW358.24 g/mol
LogP3.85
Rot. Bonds4

About 1-[(6-bromo-2-phenylquinazolin-4-yl)amino]propan-2-ol

1-[(6-bromo-2-phenylquinazolin-4-yl)amino]propan-2-ol (PubChem CID 23906351) has the molecular formula C17H16BrN3O and a molecular weight of 358.24 g/mol. Its IUPAC name is 1-[(6-bromo-2-phenylquinazolin-4-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[(6-bromo-2-phenylquinazolin-4-yl)amino]propan-2-ol
PubChem CID23906351
Molecular FormulaC17H16BrN3O
Molecular Weight358.24 g/mol
Exact Mass357.05
IUPAC Name1-[(6-bromo-2-phenylquinazolin-4-yl)amino]propan-2-ol
SMILESCC(O)CNc1nc(-c2ccccc2)nc2ccc(Br)cc12
InChIInChI=1S/C17H16BrN3O/c1-11(22)10-19-17-14-9-13(18)7-8-15(14)20-16(21-17)12-5-3-2-4-6-12/h2-9,11,22H,10H2,1H3,(H,19,20,21)
InChIKeyXFGVLAOLORWMIR-UHFFFAOYSA-N
XLogP3.85
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.24
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-bromo-2-phenylquinazolin-4-yl)amino]propan-2-ol?
The IUPAC name of 1-[(6-bromo-2-phenylquinazolin-4-yl)amino]propan-2-ol (CID 23906351) is 1-[(6-bromo-2-phenylquinazolin-4-yl)amino]propan-2-ol.
What is the SMILES notation for 1-[(6-bromo-2-phenylquinazolin-4-yl)amino]propan-2-ol?
The canonical SMILES for 1-[(6-bromo-2-phenylquinazolin-4-yl)amino]propan-2-ol is CC(O)CNc1nc(-c2ccccc2)nc2ccc(Br)cc12.
What is the InChIKey of 1-[(6-bromo-2-phenylquinazolin-4-yl)amino]propan-2-ol?
The InChIKey is XFGVLAOLORWMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3O/c1-11(22)10-19-17-14-9-13(18)7-8-15(14)20-16(21-17)12-5-3-2-4-6-12/h2-9,11,22H,10H2,1H3,(H,19,20,21).
What are the key properties of 1-[(6-bromo-2-phenylquinazolin-4-yl)amino]propan-2-ol?
1-[(6-bromo-2-phenylquinazolin-4-yl)amino]propan-2-ol has a molecular weight of 358.24 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-bromo-2-phenylquinazolin-4-yl)amino]propan-2-ol is sourced from PubChem (CID 23906351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).