2-[4-(6-bromoquinazolin-4-yl)piperazin-1-yl]ethanol;hydrochloride

C14H18BrClN4O — CID 2791872

IUPAC2-[4-(6-bromoquinazolin-4-yl)piperazin-1-yl]ethanol;hydrochloride
SMILESCl.OCCN1CCN(c2ncnc3ccc(Br)cc23)CC1
InChIInChI=1S/C14H17BrN4O.ClH/c15-11-1-2-13-12(9-11)14(17-10-16-13)19-5-3-18(4-6-19)7-8-20;/h1-2,9-10,20H,3-8H2;1H
InChIKeyFQGPLYKUZZMAOC-UHFFFAOYSA-N
MW373.68 g/mol
LogP1.93
Rot. Bonds3

About 2-[4-(6-bromoquinazolin-4-yl)piperazin-1-yl]ethanol;hydrochloride

2-[4-(6-bromoquinazolin-4-yl)piperazin-1-yl]ethanol;hydrochloride (PubChem CID 2791872) has the molecular formula C14H18BrClN4O and a molecular weight of 373.68 g/mol. Its IUPAC name is 2-[4-(6-bromoquinazolin-4-yl)piperazin-1-yl]ethanol;hydrochloride.

Molecular Properties

Compound Name2-[4-(6-bromoquinazolin-4-yl)piperazin-1-yl]ethanol;hydrochloride
PubChem CID2791872
Molecular FormulaC14H18BrClN4O
Molecular Weight373.68 g/mol
Exact Mass372.04
IUPAC Name2-[4-(6-bromoquinazolin-4-yl)piperazin-1-yl]ethanol;hydrochloride
SMILESCl.OCCN1CCN(c2ncnc3ccc(Br)cc23)CC1
InChIInChI=1S/C14H17BrN4O.ClH/c15-11-1-2-13-12(9-11)14(17-10-16-13)19-5-3-18(4-6-19)7-8-20;/h1-2,9-10,20H,3-8H2;1H
InChIKeyFQGPLYKUZZMAOC-UHFFFAOYSA-N
XLogP1.93
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.68
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-bromoquinazolin-4-yl)piperazin-1-yl]ethanol;hydrochloride?
The IUPAC name of 2-[4-(6-bromoquinazolin-4-yl)piperazin-1-yl]ethanol;hydrochloride (CID 2791872) is 2-[4-(6-bromoquinazolin-4-yl)piperazin-1-yl]ethanol;hydrochloride.
What is the SMILES notation for 2-[4-(6-bromoquinazolin-4-yl)piperazin-1-yl]ethanol;hydrochloride?
The canonical SMILES for 2-[4-(6-bromoquinazolin-4-yl)piperazin-1-yl]ethanol;hydrochloride is Cl.OCCN1CCN(c2ncnc3ccc(Br)cc23)CC1.
What is the InChIKey of 2-[4-(6-bromoquinazolin-4-yl)piperazin-1-yl]ethanol;hydrochloride?
The InChIKey is FQGPLYKUZZMAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4O.ClH/c15-11-1-2-13-12(9-11)14(17-10-16-13)19-5-3-18(4-6-19)7-8-20;/h1-2,9-10,20H,3-8H2;1H.
What are the key properties of 2-[4-(6-bromoquinazolin-4-yl)piperazin-1-yl]ethanol;hydrochloride?
2-[4-(6-bromoquinazolin-4-yl)piperazin-1-yl]ethanol;hydrochloride has a molecular weight of 373.68 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-bromoquinazolin-4-yl)piperazin-1-yl]ethanol;hydrochloride is sourced from PubChem (CID 2791872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).