2-[4-[3-(6-methoxyquinazolin-2-yl)oxypropyl]piperazin-1-yl]ethanol;hydrochloride

C18H27ClN4O3 — CID 157322851

IUPAC2-[4-[3-(6-methoxyquinazolin-2-yl)oxypropyl]piperazin-1-yl]ethanol;hydrochloride
SMILESCOc1ccc2nc(OCCCN3CCN(CCO)CC3)ncc2c1.Cl
InChIInChI=1S/C18H26N4O3.ClH/c1-24-16-3-4-17-15(13-16)14-19-18(20-17)25-12-2-5-21-6-8-22(9-7-21)10-11-23;/h3-4,13-14,23H,2,5-12H2,1H3;1H
InChIKeyGNENZLZGLJYNQO-UHFFFAOYSA-N
MW382.89 g/mol
LogP1.44
Rot. Bonds8

About 2-[4-[3-(6-methoxyquinazolin-2-yl)oxypropyl]piperazin-1-yl]ethanol;hydrochloride

2-[4-[3-(6-methoxyquinazolin-2-yl)oxypropyl]piperazin-1-yl]ethanol;hydrochloride (PubChem CID 157322851) has the molecular formula C18H27ClN4O3 and a molecular weight of 382.89 g/mol. Its IUPAC name is 2-[4-[3-(6-methoxyquinazolin-2-yl)oxypropyl]piperazin-1-yl]ethanol;hydrochloride.

Molecular Properties

Compound Name2-[4-[3-(6-methoxyquinazolin-2-yl)oxypropyl]piperazin-1-yl]ethanol;hydrochloride
PubChem CID157322851
Molecular FormulaC18H27ClN4O3
Molecular Weight382.89 g/mol
Exact Mass382.18
IUPAC Name2-[4-[3-(6-methoxyquinazolin-2-yl)oxypropyl]piperazin-1-yl]ethanol;hydrochloride
SMILESCOc1ccc2nc(OCCCN3CCN(CCO)CC3)ncc2c1.Cl
InChIInChI=1S/C18H26N4O3.ClH/c1-24-16-3-4-17-15(13-16)14-19-18(20-17)25-12-2-5-21-6-8-22(9-7-21)10-11-23;/h3-4,13-14,23H,2,5-12H2,1H3;1H
InChIKeyGNENZLZGLJYNQO-UHFFFAOYSA-N
XLogP1.44
TPSA70.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.89
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-7-(3-piperidin-1-ylpropoxy)quinazoline
CID 69089727
2-[3,5-dimethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-6-methoxyquinazoline
CID 66745885
2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanone
CID 62025523
2-[4-(7-methoxynaphthalen-1-yl)piperazin-1-yl]ethanol;hydrochloride
CID 19808502
2-[4-[3-(3-methylphenoxy)propyl]piperazin-1-yl]ethanol
CID 60669962
4-[3-(4-methoxyphenoxy)propyl]morpholine
CID 2053845
1-(6-methoxyquinazolin-2-yl)-N-methylethanamine
CID 105471328
2-(2,4-dimethoxyphenyl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 39959114
4-[3-[4-(1H-indol-6-yloxy)-6-methoxyquinazolin-2-yl]oxypropyl]morpholine
CID 151481326
3-[1-[3-(6-methoxynaphthalen-2-yl)oxypropyl]piperidin-4-yl]pyridine
CID 21198085
1-[3-(3,4-dichlorophenoxy)propyl]-4-(4-methoxyphenyl)sulfonylpiperazine
CID 142055515
N-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-methoxybenzamide
CID 82163321

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(6-methoxyquinazolin-2-yl)oxypropyl]piperazin-1-yl]ethanol;hydrochloride?
The IUPAC name of 2-[4-[3-(6-methoxyquinazolin-2-yl)oxypropyl]piperazin-1-yl]ethanol;hydrochloride (CID 157322851) is 2-[4-[3-(6-methoxyquinazolin-2-yl)oxypropyl]piperazin-1-yl]ethanol;hydrochloride.
What is the SMILES notation for 2-[4-[3-(6-methoxyquinazolin-2-yl)oxypropyl]piperazin-1-yl]ethanol;hydrochloride?
The canonical SMILES for 2-[4-[3-(6-methoxyquinazolin-2-yl)oxypropyl]piperazin-1-yl]ethanol;hydrochloride is COc1ccc2nc(OCCCN3CCN(CCO)CC3)ncc2c1.Cl.
What is the InChIKey of 2-[4-[3-(6-methoxyquinazolin-2-yl)oxypropyl]piperazin-1-yl]ethanol;hydrochloride?
The InChIKey is GNENZLZGLJYNQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3.ClH/c1-24-16-3-4-17-15(13-16)14-19-18(20-17)25-12-2-5-21-6-8-22(9-7-21)10-11-23;/h3-4,13-14,23H,2,5-12H2,1H3;1H.
What are the key properties of 2-[4-[3-(6-methoxyquinazolin-2-yl)oxypropyl]piperazin-1-yl]ethanol;hydrochloride?
2-[4-[3-(6-methoxyquinazolin-2-yl)oxypropyl]piperazin-1-yl]ethanol;hydrochloride has a molecular weight of 382.89 g/mol, XLogP of 1.44, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(6-methoxyquinazolin-2-yl)oxypropyl]piperazin-1-yl]ethanol;hydrochloride is sourced from PubChem (CID 157322851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).