3-bromo-4-phenoxy-2-phenylquinoline

C21H14BrNO — CID 164676381

IUPAC3-bromo-4-phenoxy-2-phenylquinoline
SMILESBrc1c(-c2ccccc2)nc2ccccc2c1Oc1ccccc1
InChIInChI=1S/C21H14BrNO/c22-19-20(15-9-3-1-4-10-15)23-18-14-8-7-13-17(18)21(19)24-16-11-5-2-6-12-16/h1-14H
InChIKeyNDAXTKXGJPLEPB-UHFFFAOYSA-N
MW376.25 g/mol
LogP6.46
Rot. Bonds3

About 3-bromo-4-phenoxy-2-phenylquinoline

3-bromo-4-phenoxy-2-phenylquinoline (PubChem CID 164676381) has the molecular formula C21H14BrNO and a molecular weight of 376.25 g/mol. Its IUPAC name is 3-bromo-4-phenoxy-2-phenylquinoline.

Molecular Properties

Compound Name3-bromo-4-phenoxy-2-phenylquinoline
PubChem CID164676381
Molecular FormulaC21H14BrNO
Molecular Weight376.25 g/mol
Exact Mass375.03
IUPAC Name3-bromo-4-phenoxy-2-phenylquinoline
SMILESBrc1c(-c2ccccc2)nc2ccccc2c1Oc1ccccc1
InChIInChI=1S/C21H14BrNO/c22-19-20(15-9-3-1-4-10-15)23-18-14-8-7-13-17(18)21(19)24-16-11-5-2-6-12-16/h1-14H
InChIKeyNDAXTKXGJPLEPB-UHFFFAOYSA-N
XLogP6.46
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.25
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,2,4,5-tetrabromo-3,6-diphenoxybenzene
CID 23129262
2-chloro-5-phenoxy-4,6-diphenylpyrimidine
CID 13327262
9-phenoxyacridine-1,4-dione
CID 102027445
4-bromo-3-phenylisoquinoline
CID 152778536
3-hydroxy-2-(4-phenoxyphenyl)quinoline-4-carboxylic acid
CID 14498175
3-phenoxy-2-phenylbenzo[g]quinoline
CID 168878050
4-chloro-9-phenoxyacridine
CID 71390850
3-bromo-1,5-diphenyl-2,4-bis(4-phenylphenoxy)benzene
CID 118220023
2,4,6-triphenyl-3-[4-[(2,4,6-triphenyl-3-pyridinyl)oxy]phenoxy]pyridine
CID 58692908
2-phenoxyquinolin-4-amine
CID 158312324
4-phenylquinazolin-2-amine;hydrochloride
CID 174298789
2-(4-bromophenoxy)-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11,13-heptaen-16-one
CID 155762294

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-phenoxy-2-phenylquinoline?
The IUPAC name of 3-bromo-4-phenoxy-2-phenylquinoline (CID 164676381) is 3-bromo-4-phenoxy-2-phenylquinoline.
What is the SMILES notation for 3-bromo-4-phenoxy-2-phenylquinoline?
The canonical SMILES for 3-bromo-4-phenoxy-2-phenylquinoline is Brc1c(-c2ccccc2)nc2ccccc2c1Oc1ccccc1.
What is the InChIKey of 3-bromo-4-phenoxy-2-phenylquinoline?
The InChIKey is NDAXTKXGJPLEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14BrNO/c22-19-20(15-9-3-1-4-10-15)23-18-14-8-7-13-17(18)21(19)24-16-11-5-2-6-12-16/h1-14H.
What are the key properties of 3-bromo-4-phenoxy-2-phenylquinoline?
3-bromo-4-phenoxy-2-phenylquinoline has a molecular weight of 376.25 g/mol, XLogP of 6.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-phenoxy-2-phenylquinoline is sourced from PubChem (CID 164676381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).