2-[4-[3-[(6-bromoquinazolin-4-yl)amino]propyl]piperazin-1-yl]ethanol

C17H24BrN5O — CID 21002522

IUPAC2-[4-[3-[(6-bromoquinazolin-4-yl)amino]propyl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(CCCNc2ncnc3ccc(Br)cc23)CC1
InChIInChI=1S/C17H24BrN5O/c18-14-2-3-16-15(12-14)17(21-13-20-16)19-4-1-5-22-6-8-23(9-7-22)10-11-24/h2-3,12-13,24H,1,4-11H2,(H,19,20,21)
InChIKeyACYPPSRXVLANAN-UHFFFAOYSA-N
MW394.32 g/mol
LogP1.80
Rot. Bonds7

About 2-[4-[3-[(6-bromoquinazolin-4-yl)amino]propyl]piperazin-1-yl]ethanol

2-[4-[3-[(6-bromoquinazolin-4-yl)amino]propyl]piperazin-1-yl]ethanol (PubChem CID 21002522) has the molecular formula C17H24BrN5O and a molecular weight of 394.32 g/mol. Its IUPAC name is 2-[4-[3-[(6-bromoquinazolin-4-yl)amino]propyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[3-[(6-bromoquinazolin-4-yl)amino]propyl]piperazin-1-yl]ethanol
PubChem CID21002522
Molecular FormulaC17H24BrN5O
Molecular Weight394.32 g/mol
Exact Mass393.12
IUPAC Name2-[4-[3-[(6-bromoquinazolin-4-yl)amino]propyl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(CCCNc2ncnc3ccc(Br)cc23)CC1
InChIInChI=1S/C17H24BrN5O/c18-14-2-3-16-15(12-14)17(21-13-20-16)19-4-1-5-22-6-8-23(9-7-22)10-11-24/h2-3,12-13,24H,1,4-11H2,(H,19,20,21)
InChIKeyACYPPSRXVLANAN-UHFFFAOYSA-N
XLogP1.80
TPSA64.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.32
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[4-[3-[(6-bromoquinazolin-4-yl)amino]propyl]piperazin-1-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[2-[(6-bromoquinazolin-4-yl)amino]ethyl]piperazin-1-yl]ethanone
CID 87021064
6-bromo-N-(2-morpholin-4-ylethyl)quinazolin-4-amine
CID 728957
6-bromo-N-[4-(1,2,4-triazol-4-yl)butyl]quinazolin-4-amine
CID 133324802
N-(6-bromoquinazolin-4-yl)-N'-pyrimidin-2-ylpropane-1,3-diamine
CID 133277817
6-ethyl-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine
CID 21002676
6-bromo-N-(4-pyrrolidin-1-ium-1-ylbutyl)quinazolin-4-amine
CID 2061539
6-fluoro-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]quinazolin-4-amine
CID 78901405
6-bromo-N-(3-cyclopentyloxypropyl)quinazolin-4-amine
CID 86873464
3-[(6-aminoquinazolin-4-yl)amino]propan-1-ol
CID 64587683
2-[(6-bromoquinazolin-4-yl)amino]acetic acid;hydrochloride
CID 18590558
6-bromo-N-[2-(cyclopropylmethoxy)ethyl]quinazolin-4-amine
CID 86900440
6-bromo-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]quinazolin-4-amine
CID 133459268

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[(6-bromoquinazolin-4-yl)amino]propyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[3-[(6-bromoquinazolin-4-yl)amino]propyl]piperazin-1-yl]ethanol (CID 21002522) is 2-[4-[3-[(6-bromoquinazolin-4-yl)amino]propyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[3-[(6-bromoquinazolin-4-yl)amino]propyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[3-[(6-bromoquinazolin-4-yl)amino]propyl]piperazin-1-yl]ethanol is OCCN1CCN(CCCNc2ncnc3ccc(Br)cc23)CC1.
What is the InChIKey of 2-[4-[3-[(6-bromoquinazolin-4-yl)amino]propyl]piperazin-1-yl]ethanol?
The InChIKey is ACYPPSRXVLANAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrN5O/c18-14-2-3-16-15(12-14)17(21-13-20-16)19-4-1-5-22-6-8-23(9-7-22)10-11-24/h2-3,12-13,24H,1,4-11H2,(H,19,20,21).
What are the key properties of 2-[4-[3-[(6-bromoquinazolin-4-yl)amino]propyl]piperazin-1-yl]ethanol?
2-[4-[3-[(6-bromoquinazolin-4-yl)amino]propyl]piperazin-1-yl]ethanol has a molecular weight of 394.32 g/mol, XLogP of 1.80, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[(6-bromoquinazolin-4-yl)amino]propyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 21002522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).