7-(3-piperazin-1-ylpropoxy)quinazolin-4-amine

C15H21N5O — CID 141103822

IUPAC7-(3-piperazin-1-ylpropoxy)quinazolin-4-amine
SMILESNc1ncnc2cc(OCCCN3CCNCC3)ccc12
InChIInChI=1S/C15H21N5O/c16-15-13-3-2-12(10-14(13)18-11-19-15)21-9-1-6-20-7-4-17-5-8-20/h2-3,10-11,17H,1,4-9H2,(H2,16,18,19)
InChIKeyCGIHWLRZJGXLRM-UHFFFAOYSA-N
MW287.37 g/mol
LogP0.89
Rot. Bonds5

About 7-(3-piperazin-1-ylpropoxy)quinazolin-4-amine

7-(3-piperazin-1-ylpropoxy)quinazolin-4-amine (PubChem CID 141103822) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 7-(3-piperazin-1-ylpropoxy)quinazolin-4-amine.

Molecular Properties

Compound Name7-(3-piperazin-1-ylpropoxy)quinazolin-4-amine
PubChem CID141103822
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name7-(3-piperazin-1-ylpropoxy)quinazolin-4-amine
SMILESNc1ncnc2cc(OCCCN3CCNCC3)ccc12
InChIInChI=1S/C15H21N5O/c16-15-13-3-2-12(10-14(13)18-11-19-15)21-9-1-6-20-7-4-17-5-8-20/h2-3,10-11,17H,1,4-9H2,(H2,16,18,19)
InChIKeyCGIHWLRZJGXLRM-UHFFFAOYSA-N
XLogP0.89
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-(3-piperazin-1-ylpropoxy)quinazolin-4-amine?
The IUPAC name of 7-(3-piperazin-1-ylpropoxy)quinazolin-4-amine (CID 141103822) is 7-(3-piperazin-1-ylpropoxy)quinazolin-4-amine.
What is the SMILES notation for 7-(3-piperazin-1-ylpropoxy)quinazolin-4-amine?
The canonical SMILES for 7-(3-piperazin-1-ylpropoxy)quinazolin-4-amine is Nc1ncnc2cc(OCCCN3CCNCC3)ccc12.
What is the InChIKey of 7-(3-piperazin-1-ylpropoxy)quinazolin-4-amine?
The InChIKey is CGIHWLRZJGXLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c16-15-13-3-2-12(10-14(13)18-11-19-15)21-9-1-6-20-7-4-17-5-8-20/h2-3,10-11,17H,1,4-9H2,(H2,16,18,19).
What are the key properties of 7-(3-piperazin-1-ylpropoxy)quinazolin-4-amine?
7-(3-piperazin-1-ylpropoxy)quinazolin-4-amine has a molecular weight of 287.37 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-piperazin-1-ylpropoxy)quinazolin-4-amine is sourced from PubChem (CID 141103822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).