7-(4-bromobutoxy)-2-phenylmethoxyquinoline

C20H20BrNO2 — CID 134391635

IUPAC7-(4-bromobutoxy)-2-phenylmethoxyquinoline
SMILESBrCCCCOc1ccc2ccc(OCc3ccccc3)nc2c1
InChIInChI=1S/C20H20BrNO2/c21-12-4-5-13-23-18-10-8-17-9-11-20(22-19(17)14-18)24-15-16-6-2-1-3-7-16/h1-3,6-11,14H,4-5,12-13,15H2
InChIKeyCICTUXGAJXBAOA-UHFFFAOYSA-N
MW386.29 g/mol
LogP5.37
Rot. Bonds8

About 7-(4-bromobutoxy)-2-phenylmethoxyquinoline

7-(4-bromobutoxy)-2-phenylmethoxyquinoline (PubChem CID 134391635) has the molecular formula C20H20BrNO2 and a molecular weight of 386.29 g/mol. Its IUPAC name is 7-(4-bromobutoxy)-2-phenylmethoxyquinoline.

Molecular Properties

Compound Name7-(4-bromobutoxy)-2-phenylmethoxyquinoline
PubChem CID134391635
Molecular FormulaC20H20BrNO2
Molecular Weight386.29 g/mol
Exact Mass385.07
IUPAC Name7-(4-bromobutoxy)-2-phenylmethoxyquinoline
SMILESBrCCCCOc1ccc2ccc(OCc3ccccc3)nc2c1
InChIInChI=1S/C20H20BrNO2/c21-12-4-5-13-23-18-10-8-17-9-11-20(22-19(17)14-18)24-15-16-6-2-1-3-7-16/h1-3,6-11,14H,4-5,12-13,15H2
InChIKeyCICTUXGAJXBAOA-UHFFFAOYSA-N
XLogP5.37
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.29
LogP ≤ 55.37
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

1-(8-bromooctoxy)-4-phenylmethoxybenzene
CID 86051798
1-(5-bromopentoxy)-4-phenylmethoxybenzene;1-(3-bromopropoxy)-4-phenylmethoxybenzene
CID 158329234
2-(9-bromononoxy)naphthalene
CID 105343234
1-(5-bromopentoxy)-2-phenylmethoxybenzene
CID 70388303
6-(8-bromooctoxy)-2-methoxyquinoline
CID 66960886
1-phenylmethoxy-4-[9-(4-phenylmethoxyphenoxy)nonoxy]benzene
CID 43835980
methyl 2-(4-bromobutoxy)-4-phenylmethoxybenzoate
CID 54541902
1-(2-bromoethoxy)-3-phenylmethoxybenzene
CID 23294563
1-[4-[6-[4-[4-(6-bromohexoxy)phenyl]phenyl]hexyl]phenyl]-3,5-bis(phenylmethoxy)benzene
CID 102386596
2-bromo-6-(4-bromobutoxy)naphthalene
CID 43165163
1-(4-bromobutoxy)-3-(bromomethyl)benzene
CID 177328474
6-bromo-2-(4-phenylmethoxyphenoxy)quinoline
CID 141463365

Frequently Asked Questions

What is the IUPAC name of 7-(4-bromobutoxy)-2-phenylmethoxyquinoline?
The IUPAC name of 7-(4-bromobutoxy)-2-phenylmethoxyquinoline (CID 134391635) is 7-(4-bromobutoxy)-2-phenylmethoxyquinoline.
What is the SMILES notation for 7-(4-bromobutoxy)-2-phenylmethoxyquinoline?
The canonical SMILES for 7-(4-bromobutoxy)-2-phenylmethoxyquinoline is BrCCCCOc1ccc2ccc(OCc3ccccc3)nc2c1.
What is the InChIKey of 7-(4-bromobutoxy)-2-phenylmethoxyquinoline?
The InChIKey is CICTUXGAJXBAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrNO2/c21-12-4-5-13-23-18-10-8-17-9-11-20(22-19(17)14-18)24-15-16-6-2-1-3-7-16/h1-3,6-11,14H,4-5,12-13,15H2.
What are the key properties of 7-(4-bromobutoxy)-2-phenylmethoxyquinoline?
7-(4-bromobutoxy)-2-phenylmethoxyquinoline has a molecular weight of 386.29 g/mol, XLogP of 5.37, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-bromobutoxy)-2-phenylmethoxyquinoline is sourced from PubChem (CID 134391635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).