2-ethoxy-5-(oxan-4-yloxy)-6-piperazin-1-ylquinazolin-4-amine

C19H27N5O3 — CID 71259819

IUPAC2-ethoxy-5-(oxan-4-yloxy)-6-piperazin-1-ylquinazolin-4-amine
SMILESCCOc1nc(N)c2c(OC3CCOCC3)c(N3CCNCC3)ccc2n1
InChIInChI=1S/C19H27N5O3/c1-2-26-19-22-14-3-4-15(24-9-7-21-8-10-24)17(16(14)18(20)23-19)27-13-5-11-25-12-6-13/h3-4,13,21H,2,5-12H2,1H3,(H2,20,22,23)
InChIKeyJIUPTNILCYZSCW-UHFFFAOYSA-N
MW373.46 g/mol
LogP1.58
Rot. Bonds5

About 2-ethoxy-5-(oxan-4-yloxy)-6-piperazin-1-ylquinazolin-4-amine

2-ethoxy-5-(oxan-4-yloxy)-6-piperazin-1-ylquinazolin-4-amine (PubChem CID 71259819) has the molecular formula C19H27N5O3 and a molecular weight of 373.46 g/mol. Its IUPAC name is 2-ethoxy-5-(oxan-4-yloxy)-6-piperazin-1-ylquinazolin-4-amine.

Molecular Properties

Compound Name2-ethoxy-5-(oxan-4-yloxy)-6-piperazin-1-ylquinazolin-4-amine
PubChem CID71259819
Molecular FormulaC19H27N5O3
Molecular Weight373.46 g/mol
Exact Mass373.21
IUPAC Name2-ethoxy-5-(oxan-4-yloxy)-6-piperazin-1-ylquinazolin-4-amine
SMILESCCOc1nc(N)c2c(OC3CCOCC3)c(N3CCNCC3)ccc2n1
InChIInChI=1S/C19H27N5O3/c1-2-26-19-22-14-3-4-15(24-9-7-21-8-10-24)17(16(14)18(20)23-19)27-13-5-11-25-12-6-13/h3-4,13,21H,2,5-12H2,1H3,(H2,20,22,23)
InChIKeyJIUPTNILCYZSCW-UHFFFAOYSA-N
XLogP1.58
TPSA94.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-5-(oxan-4-yloxy)-6-piperazin-1-ylquinazolin-4-amine?
The IUPAC name of 2-ethoxy-5-(oxan-4-yloxy)-6-piperazin-1-ylquinazolin-4-amine (CID 71259819) is 2-ethoxy-5-(oxan-4-yloxy)-6-piperazin-1-ylquinazolin-4-amine.
What is the SMILES notation for 2-ethoxy-5-(oxan-4-yloxy)-6-piperazin-1-ylquinazolin-4-amine?
The canonical SMILES for 2-ethoxy-5-(oxan-4-yloxy)-6-piperazin-1-ylquinazolin-4-amine is CCOc1nc(N)c2c(OC3CCOCC3)c(N3CCNCC3)ccc2n1.
What is the InChIKey of 2-ethoxy-5-(oxan-4-yloxy)-6-piperazin-1-ylquinazolin-4-amine?
The InChIKey is JIUPTNILCYZSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O3/c1-2-26-19-22-14-3-4-15(24-9-7-21-8-10-24)17(16(14)18(20)23-19)27-13-5-11-25-12-6-13/h3-4,13,21H,2,5-12H2,1H3,(H2,20,22,23).
What are the key properties of 2-ethoxy-5-(oxan-4-yloxy)-6-piperazin-1-ylquinazolin-4-amine?
2-ethoxy-5-(oxan-4-yloxy)-6-piperazin-1-ylquinazolin-4-amine has a molecular weight of 373.46 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-5-(oxan-4-yloxy)-6-piperazin-1-ylquinazolin-4-amine is sourced from PubChem (CID 71259819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).