1-[4-[3-(4-aminoquinazolin-7-yl)oxypropyl]piperazin-1-yl]ethanone

C17H23N5O2 — CID 141289176

IUPAC1-[4-[3-(4-aminoquinazolin-7-yl)oxypropyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CCCOc2ccc3c(N)ncnc3c2)CC1
InChIInChI=1S/C17H23N5O2/c1-13(23)22-8-6-21(7-9-22)5-2-10-24-14-3-4-15-16(11-14)19-12-20-17(15)18/h3-4,11-12H,2,5-10H2,1H3,(H2,18,19,20)
InChIKeySCZWONWRWISCPL-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.14
Rot. Bonds5

About 1-[4-[3-(4-aminoquinazolin-7-yl)oxypropyl]piperazin-1-yl]ethanone

1-[4-[3-(4-aminoquinazolin-7-yl)oxypropyl]piperazin-1-yl]ethanone (PubChem CID 141289176) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-[4-[3-(4-aminoquinazolin-7-yl)oxypropyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[3-(4-aminoquinazolin-7-yl)oxypropyl]piperazin-1-yl]ethanone
PubChem CID141289176
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name1-[4-[3-(4-aminoquinazolin-7-yl)oxypropyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CCCOc2ccc3c(N)ncnc3c2)CC1
InChIInChI=1S/C17H23N5O2/c1-13(23)22-8-6-21(7-9-22)5-2-10-24-14-3-4-15-16(11-14)19-12-20-17(15)18/h3-4,11-12H,2,5-10H2,1H3,(H2,18,19,20)
InChIKeySCZWONWRWISCPL-UHFFFAOYSA-N
XLogP1.14
TPSA84.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
CID 22649254
7-(3-piperazin-1-ylpropoxy)quinazolin-4-amine
CID 141103822
1-[4-[2-(4-methylsulfanylquinazolin-7-yl)oxyethyl]piperazin-1-yl]ethanone
CID 10215430
1-[4-[3-(4-benzoylphenoxy)propyl]piperazin-1-yl]ethanone
CID 59372963
1-[4-[3-(4-chloro-7-methoxyquinazolin-6-yl)oxypropyl]piperazin-1-yl]ethanone
CID 58960248
2-[4-[3-(4-amino-6-methoxyquinazolin-7-yl)oxypropyl]piperazin-1-yl]ethanol
CID 141094981
4-[2-(4-acetylpiperazin-1-yl)ethoxy]benzenecarbothioamide
CID 43290386
7-(4-pyrrolidin-1-ylbut-2-enoxy)quinazolin-4-amine
CID 69041177
1-[4-[2-(4-ethoxyphenoxy)ethyl]piperazin-1-yl]ethanone
CID 78789869
7-[4-(4-acetylpiperazin-1-yl)butoxy]-3-phenylchromen-4-one
CID 10971851
1-[4-[2-[4-(1-phenylpyrazol-4-yl)quinolin-7-yl]oxyethyl]piperazin-1-yl]ethanone
CID 70683518
1-[4-[2-[(7-chloroquinazolin-4-yl)amino]ethyl]piperazin-1-yl]ethanone
CID 87014727

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(4-aminoquinazolin-7-yl)oxypropyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[3-(4-aminoquinazolin-7-yl)oxypropyl]piperazin-1-yl]ethanone (CID 141289176) is 1-[4-[3-(4-aminoquinazolin-7-yl)oxypropyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[3-(4-aminoquinazolin-7-yl)oxypropyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[3-(4-aminoquinazolin-7-yl)oxypropyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(CCCOc2ccc3c(N)ncnc3c2)CC1.
What is the InChIKey of 1-[4-[3-(4-aminoquinazolin-7-yl)oxypropyl]piperazin-1-yl]ethanone?
The InChIKey is SCZWONWRWISCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-13(23)22-8-6-21(7-9-22)5-2-10-24-14-3-4-15-16(11-14)19-12-20-17(15)18/h3-4,11-12H,2,5-10H2,1H3,(H2,18,19,20).
What are the key properties of 1-[4-[3-(4-aminoquinazolin-7-yl)oxypropyl]piperazin-1-yl]ethanone?
1-[4-[3-(4-aminoquinazolin-7-yl)oxypropyl]piperazin-1-yl]ethanone has a molecular weight of 329.40 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(4-aminoquinazolin-7-yl)oxypropyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 141289176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).