6-bromo-8-but-3-enoxyquinoline

C13H12BrNO — CID 163278157

IUPAC6-bromo-8-but-3-enoxyquinoline
SMILESC=CCCOc1cc(Br)cc2cccnc12
InChIInChI=1S/C13H12BrNO/c1-2-3-7-16-12-9-11(14)8-10-5-4-6-15-13(10)12/h2,4-6,8-9H,1,3,7H2
InChIKeyPXLUUNHQINTXNX-UHFFFAOYSA-N
MW278.15 g/mol
LogP3.95
Rot. Bonds4

About 6-bromo-8-but-3-enoxyquinoline

6-bromo-8-but-3-enoxyquinoline (PubChem CID 163278157) has the molecular formula C13H12BrNO and a molecular weight of 278.15 g/mol. Its IUPAC name is 6-bromo-8-but-3-enoxyquinoline.

Molecular Properties

Compound Name6-bromo-8-but-3-enoxyquinoline
PubChem CID163278157
Molecular FormulaC13H12BrNO
Molecular Weight278.15 g/mol
Exact Mass277.01
IUPAC Name6-bromo-8-but-3-enoxyquinoline
SMILESC=CCCOc1cc(Br)cc2cccnc12
InChIInChI=1S/C13H12BrNO/c1-2-3-7-16-12-9-11(14)8-10-5-4-6-15-13(10)12/h2,4-6,8-9H,1,3,7H2
InChIKeyPXLUUNHQINTXNX-UHFFFAOYSA-N
XLogP3.95
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.15
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

8-Acetoxyquinoline
CID 75777
6-Bromoquinolin-8-ol
CID 384163
4-Bromo-8-hydroxyquinoline
CID 384165
8-Methoxyquinoline
CID 70310
8-Methoxyquinolin-4-amine
CID 16767485
2-(Quinolin-8-yloxy)acetamide
CID 753651
8-Ethoxyquinoline
CID 73781
2-(Quinolin-8-yloxy)acetic acid
CID 220785
N-[2-(quinolin-8-yloxy)ethyl]acetamide
CID 3104609
8-[(4-Bromophenyl)methoxy]quinoline
CID 902797
8-[3-(2-Bromophenoxy)propoxy]quinoline
CID 2283404
8-[3-(4-Bromophenoxy)propoxy]quinoline
CID 2284304

Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-but-3-enoxyquinoline?
The IUPAC name of 6-bromo-8-but-3-enoxyquinoline (CID 163278157) is 6-bromo-8-but-3-enoxyquinoline.
What is the SMILES notation for 6-bromo-8-but-3-enoxyquinoline?
The canonical SMILES for 6-bromo-8-but-3-enoxyquinoline is C=CCCOc1cc(Br)cc2cccnc12.
What is the InChIKey of 6-bromo-8-but-3-enoxyquinoline?
The InChIKey is PXLUUNHQINTXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO/c1-2-3-7-16-12-9-11(14)8-10-5-4-6-15-13(10)12/h2,4-6,8-9H,1,3,7H2.
What are the key properties of 6-bromo-8-but-3-enoxyquinoline?
6-bromo-8-but-3-enoxyquinoline has a molecular weight of 278.15 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-but-3-enoxyquinoline is sourced from PubChem (CID 163278157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).