4-(5-bromopentoxy)quinazoline

C13H15BrN2O — CID 163216994

IUPAC4-(5-bromopentoxy)quinazoline
SMILESBrCCCCCOc1ncnc2ccccc12
InChIInChI=1S/C13H15BrN2O/c14-8-4-1-5-9-17-13-11-6-2-3-7-12(11)15-10-16-13/h2-3,6-7,10H,1,4-5,8-9H2
InChIKeyMDFGVUBCDNHAID-UHFFFAOYSA-N
MW295.18 g/mol
LogP3.57
Rot. Bonds6

About 4-(5-bromopentoxy)quinazoline

4-(5-bromopentoxy)quinazoline (PubChem CID 163216994) has the molecular formula C13H15BrN2O and a molecular weight of 295.18 g/mol. Its IUPAC name is 4-(5-bromopentoxy)quinazoline.

Molecular Properties

Compound Name4-(5-bromopentoxy)quinazoline
PubChem CID163216994
Molecular FormulaC13H15BrN2O
Molecular Weight295.18 g/mol
Exact Mass294.04
IUPAC Name4-(5-bromopentoxy)quinazoline
SMILESBrCCCCCOc1ncnc2ccccc12
InChIInChI=1S/C13H15BrN2O/c14-8-4-1-5-9-17-13-11-6-2-3-7-12(11)15-10-16-13/h2-3,6-7,10H,1,4-5,8-9H2
InChIKeyMDFGVUBCDNHAID-UHFFFAOYSA-N
XLogP3.57
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-ethoxyquinazoline
CID 589708
N-ethyl-2-quinazolin-4-yloxyethanamine
CID 62347961
4-[4-(2-nitrophenoxy)butoxy]quinazoline
CID 3790434
4-[2-(3-bromophenoxy)ethoxy]quinazoline
CID 55327258
4-(3-bromopropylsulfanyl)quinazoline
CID 60895646
4-[3-(4-chloro-2,6-dimethylphenoxy)propoxy]quinazoline
CID 3848714
4-[2-(2,3,6-trimethylphenoxy)ethoxy]quinazoline
CID 3820862
methyl 2-phenyl-2-(4-quinazolin-4-yloxybutoxy)acetate
CID 171785697
5-(9-bromononoxy)quinoline
CID 103044601
quinazolin-4-yl hypofluorite
CID 143671515
4-[2-[2-(2-fluorophenoxy)ethoxy]ethoxy]quinazoline
CID 5343268
4-[2-[4-(4-fluorophenyl)phenyl]ethoxy]quinazoline
CID 54258705

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromopentoxy)quinazoline?
The IUPAC name of 4-(5-bromopentoxy)quinazoline (CID 163216994) is 4-(5-bromopentoxy)quinazoline.
What is the SMILES notation for 4-(5-bromopentoxy)quinazoline?
The canonical SMILES for 4-(5-bromopentoxy)quinazoline is BrCCCCCOc1ncnc2ccccc12.
What is the InChIKey of 4-(5-bromopentoxy)quinazoline?
The InChIKey is MDFGVUBCDNHAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O/c14-8-4-1-5-9-17-13-11-6-2-3-7-12(11)15-10-16-13/h2-3,6-7,10H,1,4-5,8-9H2.
What are the key properties of 4-(5-bromopentoxy)quinazoline?
4-(5-bromopentoxy)quinazoline has a molecular weight of 295.18 g/mol, XLogP of 3.57, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromopentoxy)quinazoline is sourced from PubChem (CID 163216994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).