4-bromo-6-ethoxy-7-fluoroquinoline

C11H9BrFNO — CID 114764168

IUPAC4-bromo-6-ethoxy-7-fluoroquinoline
SMILESCCOc1cc2c(Br)ccnc2cc1F
InChIInChI=1S/C11H9BrFNO/c1-2-15-11-5-7-8(12)3-4-14-10(7)6-9(11)13/h3-6H,2H2,1H3
InChIKeyVNIYTIPBOHKHSN-UHFFFAOYSA-N
MW270.10 g/mol
LogP3.54
Rot. Bonds2

About 4-bromo-6-ethoxy-7-fluoroquinoline

4-bromo-6-ethoxy-7-fluoroquinoline (PubChem CID 114764168) has the molecular formula C11H9BrFNO and a molecular weight of 270.10 g/mol. Its IUPAC name is 4-bromo-6-ethoxy-7-fluoroquinoline.

Molecular Properties

Compound Name4-bromo-6-ethoxy-7-fluoroquinoline
PubChem CID114764168
Molecular FormulaC11H9BrFNO
Molecular Weight270.10 g/mol
Exact Mass268.99
IUPAC Name4-bromo-6-ethoxy-7-fluoroquinoline
SMILESCCOc1cc2c(Br)ccnc2cc1F
InChIInChI=1S/C11H9BrFNO/c1-2-15-11-5-7-8(12)3-4-14-10(7)6-9(11)13/h3-6H,2H2,1H3
InChIKeyVNIYTIPBOHKHSN-UHFFFAOYSA-N
XLogP3.54
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.10
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dibromo-6-ethoxy-7-fluoroquinoline
CID 114764166
4-bromo-7-ethoxyquinoline
CID 119087799
1,4-diethoxy-2,5-difluorobenzene
CID 58718970
6-ethoxy-7-fluoro-3H-quinazolin-4-one
CID 136677481
4-bromo-5,6,7-trifluoroquinoline
CID 114764064
6,7-diethoxy-N-methylquinolin-4-amine
CID 62192228
6,7-diethoxy-N-(4-fluorophenyl)quinolin-4-amine
CID 50877941
6-ethoxy-3-ethyl-7-fluoro-2-methylquinolin-4-amine
CID 113399809
2-bromo-4-ethoxy-5-fluorobenzoic acid
CID 126980084
6-butoxy-7-fluoroquinoxaline
CID 119089834
7-ethoxy-6-methoxy-N,N-dimethylquinolin-4-amine
CID 58208321
1-ethoxy-2,5-difluoro-4-methylbenzene
CID 58718803

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-ethoxy-7-fluoroquinoline?
The IUPAC name of 4-bromo-6-ethoxy-7-fluoroquinoline (CID 114764168) is 4-bromo-6-ethoxy-7-fluoroquinoline.
What is the SMILES notation for 4-bromo-6-ethoxy-7-fluoroquinoline?
The canonical SMILES for 4-bromo-6-ethoxy-7-fluoroquinoline is CCOc1cc2c(Br)ccnc2cc1F.
What is the InChIKey of 4-bromo-6-ethoxy-7-fluoroquinoline?
The InChIKey is VNIYTIPBOHKHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrFNO/c1-2-15-11-5-7-8(12)3-4-14-10(7)6-9(11)13/h3-6H,2H2,1H3.
What are the key properties of 4-bromo-6-ethoxy-7-fluoroquinoline?
4-bromo-6-ethoxy-7-fluoroquinoline has a molecular weight of 270.10 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-ethoxy-7-fluoroquinoline is sourced from PubChem (CID 114764168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).