7-bromo-4-ethoxy-8-fluoro-2-phenylquinoline

C17H13BrFNO — CID 169130530

IUPAC7-bromo-4-ethoxy-8-fluoro-2-phenylquinoline
SMILESCCOc1cc(-c2ccccc2)nc2c(F)c(Br)ccc12
InChIInChI=1S/C17H13BrFNO/c1-2-21-15-10-14(11-6-4-3-5-7-11)20-17-12(15)8-9-13(18)16(17)19/h3-10H,2H2,1H3
InChIKeyLJLYYRJOOWYKKL-UHFFFAOYSA-N
MW346.20 g/mol
LogP5.20
Rot. Bonds3

About 7-bromo-4-ethoxy-8-fluoro-2-phenylquinoline

7-bromo-4-ethoxy-8-fluoro-2-phenylquinoline (PubChem CID 169130530) has the molecular formula C17H13BrFNO and a molecular weight of 346.20 g/mol. Its IUPAC name is 7-bromo-4-ethoxy-8-fluoro-2-phenylquinoline.

Molecular Properties

Compound Name7-bromo-4-ethoxy-8-fluoro-2-phenylquinoline
PubChem CID169130530
Molecular FormulaC17H13BrFNO
Molecular Weight346.20 g/mol
Exact Mass345.02
IUPAC Name7-bromo-4-ethoxy-8-fluoro-2-phenylquinoline
SMILESCCOc1cc(-c2ccccc2)nc2c(F)c(Br)ccc12
InChIInChI=1S/C17H13BrFNO/c1-2-21-15-10-14(11-6-4-3-5-7-11)20-17-12(15)8-9-13(18)16(17)19/h3-10H,2H2,1H3
InChIKeyLJLYYRJOOWYKKL-UHFFFAOYSA-N
XLogP5.20
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.20
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethoxy-2-phenylquinoline
CID 14954061
2-(4-chlorophenyl)-4-ethoxyquinoline
CID 10880586
5-amino-3-(4-ethoxy-8-fluoro-2-phenylquinolin-7-yl)-1-(3-hydroxy-3-methylcyclobutyl)pyrazole-4-carbonitrile
CID 169130464
4,7,8-trimethoxy-2-phenylquinoline
CID 20743676
2-bromo-4-ethoxyquinoline
CID 824618
ethyl 4-ethoxy-2-phenylquinoline-6-carboxylate
CID 22425101
2-[(8-fluoro-4-methoxy-2-phenylquinolin-7-yl)-methoxymethylidene]propanedinitrile
CID 169130519
2-ethoxy-4-(4-fluorophenyl)-6-phenylpyridine
CID 154644656
N-(4-ethoxyphenyl)-2-(8-methoxy-2-phenylquinolin-4-yl)oxyacetamide
CID 46298848
2-(3-chlorophenyl)-4-ethoxy-3-methyl-6-phenylpyridine
CID 15022696
2,4,7,9-tetraphenyl-1,10-phenanthroline
CID 15567799
4-ethoxy-2-(4-fluorophenyl)-N-(2-hydroxyphenyl)quinoline-6-carboxamide
CID 46319037

Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-ethoxy-8-fluoro-2-phenylquinoline?
The IUPAC name of 7-bromo-4-ethoxy-8-fluoro-2-phenylquinoline (CID 169130530) is 7-bromo-4-ethoxy-8-fluoro-2-phenylquinoline.
What is the SMILES notation for 7-bromo-4-ethoxy-8-fluoro-2-phenylquinoline?
The canonical SMILES for 7-bromo-4-ethoxy-8-fluoro-2-phenylquinoline is CCOc1cc(-c2ccccc2)nc2c(F)c(Br)ccc12.
What is the InChIKey of 7-bromo-4-ethoxy-8-fluoro-2-phenylquinoline?
The InChIKey is LJLYYRJOOWYKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrFNO/c1-2-21-15-10-14(11-6-4-3-5-7-11)20-17-12(15)8-9-13(18)16(17)19/h3-10H,2H2,1H3.
What are the key properties of 7-bromo-4-ethoxy-8-fluoro-2-phenylquinoline?
7-bromo-4-ethoxy-8-fluoro-2-phenylquinoline has a molecular weight of 346.20 g/mol, XLogP of 5.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4-ethoxy-8-fluoro-2-phenylquinoline is sourced from PubChem (CID 169130530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).