2-[4-[3-(4-amino-6-methoxyquinazolin-7-yl)oxypropyl]piperazin-1-yl]ethanol

C18H27N5O3 — CID 141094981

IUPAC2-[4-[3-(4-amino-6-methoxyquinazolin-7-yl)oxypropyl]piperazin-1-yl]ethanol
SMILESCOc1cc2c(N)ncnc2cc1OCCCN1CCN(CCO)CC1
InChIInChI=1S/C18H27N5O3/c1-25-16-11-14-15(20-13-21-18(14)19)12-17(16)26-10-2-3-22-4-6-23(7-5-22)8-9-24/h11-13,24H,2-10H2,1H3,(H2,19,20,21)
InChIKeyATQWRDKNZNUHQM-UHFFFAOYSA-N
MW361.45 g/mol
LogP0.60
Rot. Bonds8

About 2-[4-[3-(4-amino-6-methoxyquinazolin-7-yl)oxypropyl]piperazin-1-yl]ethanol

2-[4-[3-(4-amino-6-methoxyquinazolin-7-yl)oxypropyl]piperazin-1-yl]ethanol (PubChem CID 141094981) has the molecular formula C18H27N5O3 and a molecular weight of 361.45 g/mol. Its IUPAC name is 2-[4-[3-(4-amino-6-methoxyquinazolin-7-yl)oxypropyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[3-(4-amino-6-methoxyquinazolin-7-yl)oxypropyl]piperazin-1-yl]ethanol
PubChem CID141094981
Molecular FormulaC18H27N5O3
Molecular Weight361.45 g/mol
Exact Mass361.21
IUPAC Name2-[4-[3-(4-amino-6-methoxyquinazolin-7-yl)oxypropyl]piperazin-1-yl]ethanol
SMILESCOc1cc2c(N)ncnc2cc1OCCCN1CCN(CCO)CC1
InChIInChI=1S/C18H27N5O3/c1-25-16-11-14-15(20-13-21-18(14)19)12-17(16)26-10-2-3-22-4-6-23(7-5-22)8-9-24/h11-13,24H,2-10H2,1H3,(H2,19,20,21)
InChIKeyATQWRDKNZNUHQM-UHFFFAOYSA-N
XLogP0.60
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-amine
CID 22649262
2-[1-[3-(4-amino-6-methoxyquinazolin-7-yl)oxypropyl]piperidin-2-yl]ethanol
CID 141094972
1-[4-[3-(4-chloro-7-methoxyquinazolin-6-yl)oxypropyl]piperazin-1-yl]ethanone
CID 58960248
4-chloro-7-(3-pyrrolidin-1-ylpropoxy)-6-(trideuteriomethoxy)quinazoline
CID 87631738
7-methoxy-4-(1H-pyrazol-4-yloxy)-6-(3-pyrrolidin-1-ylpropoxy)quinazoline
CID 154458074
4-[6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-yl]-1,3-benzothiazol-2-amine;hydrochloride
CID 87678247
7-(3-morpholin-4-ylpropoxy)-6-nitroquinazolin-4-amine
CID 141038732
6-methoxy-4-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-2-amine
CID 177382773
1-[4-[3-(4-aminoquinazolin-7-yl)oxypropyl]piperazin-1-yl]ethanone
CID 141289176
4-amino-6-methoxyquinazolin-7-ol
CID 135697903
6-methoxyquinazoline-4,7-diamine
CID 142061671
2-[4-(6-amino-5-methoxypyrimidin-4-yl)-1,4-diazepan-1-yl]ethanol
CID 107226746

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(4-amino-6-methoxyquinazolin-7-yl)oxypropyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[3-(4-amino-6-methoxyquinazolin-7-yl)oxypropyl]piperazin-1-yl]ethanol (CID 141094981) is 2-[4-[3-(4-amino-6-methoxyquinazolin-7-yl)oxypropyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[3-(4-amino-6-methoxyquinazolin-7-yl)oxypropyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[3-(4-amino-6-methoxyquinazolin-7-yl)oxypropyl]piperazin-1-yl]ethanol is COc1cc2c(N)ncnc2cc1OCCCN1CCN(CCO)CC1.
What is the InChIKey of 2-[4-[3-(4-amino-6-methoxyquinazolin-7-yl)oxypropyl]piperazin-1-yl]ethanol?
The InChIKey is ATQWRDKNZNUHQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O3/c1-25-16-11-14-15(20-13-21-18(14)19)12-17(16)26-10-2-3-22-4-6-23(7-5-22)8-9-24/h11-13,24H,2-10H2,1H3,(H2,19,20,21).
What are the key properties of 2-[4-[3-(4-amino-6-methoxyquinazolin-7-yl)oxypropyl]piperazin-1-yl]ethanol?
2-[4-[3-(4-amino-6-methoxyquinazolin-7-yl)oxypropyl]piperazin-1-yl]ethanol has a molecular weight of 361.45 g/mol, XLogP of 0.60, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(4-amino-6-methoxyquinazolin-7-yl)oxypropyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 141094981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).