2-[(6-bromo-4-phenylquinazolin-2-yl)-methylamino]ethanol

C17H16BrN3O — CID 6461946

IUPAC2-[(6-bromo-4-phenylquinazolin-2-yl)-methylamino]ethanol
SMILESCN(CCO)c1nc(-c2ccccc2)c2cc(Br)ccc2n1
InChIInChI=1S/C17H16BrN3O/c1-21(9-10-22)17-19-15-8-7-13(18)11-14(15)16(20-17)12-5-3-2-4-6-12/h2-8,11,22H,9-10H2,1H3
InChIKeyINHKDBGSVMJVFL-UHFFFAOYSA-N
MW358.24 g/mol
LogP3.49
Rot. Bonds4

About 2-[(6-bromo-4-phenylquinazolin-2-yl)-methylamino]ethanol

2-[(6-bromo-4-phenylquinazolin-2-yl)-methylamino]ethanol (PubChem CID 6461946) has the molecular formula C17H16BrN3O and a molecular weight of 358.24 g/mol. Its IUPAC name is 2-[(6-bromo-4-phenylquinazolin-2-yl)-methylamino]ethanol.

Molecular Properties

Compound Name2-[(6-bromo-4-phenylquinazolin-2-yl)-methylamino]ethanol
PubChem CID6461946
Molecular FormulaC17H16BrN3O
Molecular Weight358.24 g/mol
Exact Mass357.05
IUPAC Name2-[(6-bromo-4-phenylquinazolin-2-yl)-methylamino]ethanol
SMILESCN(CCO)c1nc(-c2ccccc2)c2cc(Br)ccc2n1
InChIInChI=1S/C17H16BrN3O/c1-21(9-10-22)17-19-15-8-7-13(18)11-14(15)16(20-17)12-5-3-2-4-6-12/h2-8,11,22H,9-10H2,1H3
InChIKeyINHKDBGSVMJVFL-UHFFFAOYSA-N
XLogP3.49
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.24
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-bromo-4-phenylquinazolin-2-yl)-methylamino]ethanol?
The IUPAC name of 2-[(6-bromo-4-phenylquinazolin-2-yl)-methylamino]ethanol (CID 6461946) is 2-[(6-bromo-4-phenylquinazolin-2-yl)-methylamino]ethanol.
What is the SMILES notation for 2-[(6-bromo-4-phenylquinazolin-2-yl)-methylamino]ethanol?
The canonical SMILES for 2-[(6-bromo-4-phenylquinazolin-2-yl)-methylamino]ethanol is CN(CCO)c1nc(-c2ccccc2)c2cc(Br)ccc2n1.
What is the InChIKey of 2-[(6-bromo-4-phenylquinazolin-2-yl)-methylamino]ethanol?
The InChIKey is INHKDBGSVMJVFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3O/c1-21(9-10-22)17-19-15-8-7-13(18)11-14(15)16(20-17)12-5-3-2-4-6-12/h2-8,11,22H,9-10H2,1H3.
What are the key properties of 2-[(6-bromo-4-phenylquinazolin-2-yl)-methylamino]ethanol?
2-[(6-bromo-4-phenylquinazolin-2-yl)-methylamino]ethanol has a molecular weight of 358.24 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-bromo-4-phenylquinazolin-2-yl)-methylamino]ethanol is sourced from PubChem (CID 6461946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).