6-bromo-N-(3-cyclopentyloxypropyl)quinazolin-4-amine

C16H20BrN3O — CID 86873464

IUPAC6-bromo-N-(3-cyclopentyloxypropyl)quinazolin-4-amine
SMILESBrc1ccc2ncnc(NCCCOC3CCCC3)c2c1
InChIInChI=1S/C16H20BrN3O/c17-12-6-7-15-14(10-12)16(20-11-19-15)18-8-3-9-21-13-4-1-2-5-13/h6-7,10-11,13H,1-5,8-9H2,(H,18,19,20)
InChIKeyLCFONANYDYAZKS-UHFFFAOYSA-N
MW350.26 g/mol
LogP4.15
Rot. Bonds6

About 6-bromo-N-(3-cyclopentyloxypropyl)quinazolin-4-amine

6-bromo-N-(3-cyclopentyloxypropyl)quinazolin-4-amine (PubChem CID 86873464) has the molecular formula C16H20BrN3O and a molecular weight of 350.26 g/mol. Its IUPAC name is 6-bromo-N-(3-cyclopentyloxypropyl)quinazolin-4-amine.

Molecular Properties

Compound Name6-bromo-N-(3-cyclopentyloxypropyl)quinazolin-4-amine
PubChem CID86873464
Molecular FormulaC16H20BrN3O
Molecular Weight350.26 g/mol
Exact Mass349.08
IUPAC Name6-bromo-N-(3-cyclopentyloxypropyl)quinazolin-4-amine
SMILESBrc1ccc2ncnc(NCCCOC3CCCC3)c2c1
InChIInChI=1S/C16H20BrN3O/c17-12-6-7-15-14(10-12)16(20-11-19-15)18-8-3-9-21-13-4-1-2-5-13/h6-7,10-11,13H,1-5,8-9H2,(H,18,19,20)
InChIKeyLCFONANYDYAZKS-UHFFFAOYSA-N
XLogP4.15
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 6-bromo-N-(3-cyclopentyloxypropyl)quinazolin-4-amine?
The IUPAC name of 6-bromo-N-(3-cyclopentyloxypropyl)quinazolin-4-amine (CID 86873464) is 6-bromo-N-(3-cyclopentyloxypropyl)quinazolin-4-amine.
What is the SMILES notation for 6-bromo-N-(3-cyclopentyloxypropyl)quinazolin-4-amine?
The canonical SMILES for 6-bromo-N-(3-cyclopentyloxypropyl)quinazolin-4-amine is Brc1ccc2ncnc(NCCCOC3CCCC3)c2c1.
What is the InChIKey of 6-bromo-N-(3-cyclopentyloxypropyl)quinazolin-4-amine?
The InChIKey is LCFONANYDYAZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3O/c17-12-6-7-15-14(10-12)16(20-11-19-15)18-8-3-9-21-13-4-1-2-5-13/h6-7,10-11,13H,1-5,8-9H2,(H,18,19,20).
What are the key properties of 6-bromo-N-(3-cyclopentyloxypropyl)quinazolin-4-amine?
6-bromo-N-(3-cyclopentyloxypropyl)quinazolin-4-amine has a molecular weight of 350.26 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(3-cyclopentyloxypropyl)quinazolin-4-amine is sourced from PubChem (CID 86873464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).