2-[4-(6-bromo-4-phenylquinazolin-2-yl)piperazin-1-yl]ethanol

C20H21BrN4O — CID 1264840

IUPAC2-[4-(6-bromo-4-phenylquinazolin-2-yl)piperazin-1-yl]ethanol
SMILESOCCN1CCN(c2nc(-c3ccccc3)c3cc(Br)ccc3n2)CC1
InChIInChI=1S/C20H21BrN4O/c21-16-6-7-18-17(14-16)19(15-4-2-1-3-5-15)23-20(22-18)25-10-8-24(9-11-25)12-13-26/h1-7,14,26H,8-13H2
InChIKeySHRZOXBFQGZKAE-UHFFFAOYSA-N
MW413.32 g/mol
LogP3.17
Rot. Bonds4

About 2-[4-(6-bromo-4-phenylquinazolin-2-yl)piperazin-1-yl]ethanol

2-[4-(6-bromo-4-phenylquinazolin-2-yl)piperazin-1-yl]ethanol (PubChem CID 1264840) has the molecular formula C20H21BrN4O and a molecular weight of 413.32 g/mol. Its IUPAC name is 2-[4-(6-bromo-4-phenylquinazolin-2-yl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(6-bromo-4-phenylquinazolin-2-yl)piperazin-1-yl]ethanol
PubChem CID1264840
Molecular FormulaC20H21BrN4O
Molecular Weight413.32 g/mol
Exact Mass412.09
IUPAC Name2-[4-(6-bromo-4-phenylquinazolin-2-yl)piperazin-1-yl]ethanol
SMILESOCCN1CCN(c2nc(-c3ccccc3)c3cc(Br)ccc3n2)CC1
InChIInChI=1S/C20H21BrN4O/c21-16-6-7-18-17(14-16)19(15-4-2-1-3-5-15)23-20(22-18)25-10-8-24(9-11-25)12-13-26/h1-7,14,26H,8-13H2
InChIKeySHRZOXBFQGZKAE-UHFFFAOYSA-N
XLogP3.17
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.32
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-bromo-4-phenylquinazolin-2-yl)piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-(6-bromo-4-phenylquinazolin-2-yl)piperazin-1-yl]ethanol (CID 1264840) is 2-[4-(6-bromo-4-phenylquinazolin-2-yl)piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-(6-bromo-4-phenylquinazolin-2-yl)piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-(6-bromo-4-phenylquinazolin-2-yl)piperazin-1-yl]ethanol is OCCN1CCN(c2nc(-c3ccccc3)c3cc(Br)ccc3n2)CC1.
What is the InChIKey of 2-[4-(6-bromo-4-phenylquinazolin-2-yl)piperazin-1-yl]ethanol?
The InChIKey is SHRZOXBFQGZKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrN4O/c21-16-6-7-18-17(14-16)19(15-4-2-1-3-5-15)23-20(22-18)25-10-8-24(9-11-25)12-13-26/h1-7,14,26H,8-13H2.
What are the key properties of 2-[4-(6-bromo-4-phenylquinazolin-2-yl)piperazin-1-yl]ethanol?
2-[4-(6-bromo-4-phenylquinazolin-2-yl)piperazin-1-yl]ethanol has a molecular weight of 413.32 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-bromo-4-phenylquinazolin-2-yl)piperazin-1-yl]ethanol is sourced from PubChem (CID 1264840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).