7-bromo-4-ethyl-6-fluoro-4aH-quinolin-2-one

C11H9BrFNO — CID 178187714

IUPAC7-bromo-4-ethyl-6-fluoro-4aH-quinolin-2-one
SMILESCCC1=CC(=O)N=C2C=C(Br)C(F)=CC12
InChIInChI=1S/C11H9BrFNO/c1-2-6-3-11(15)14-10-5-8(12)9(13)4-7(6)10/h3-5,7H,2H2,1H3
InChIKeyFRMLTSLRRGBCJX-UHFFFAOYSA-N
MW270.10 g/mol
LogP3.07
Rot. Bonds1

About 7-bromo-4-ethyl-6-fluoro-4aH-quinolin-2-one

7-bromo-4-ethyl-6-fluoro-4aH-quinolin-2-one (PubChem CID 178187714) has the molecular formula C11H9BrFNO and a molecular weight of 270.10 g/mol. Its IUPAC name is 7-bromo-4-ethyl-6-fluoro-4aH-quinolin-2-one.

Molecular Properties

Compound Name7-bromo-4-ethyl-6-fluoro-4aH-quinolin-2-one
PubChem CID178187714
Molecular FormulaC11H9BrFNO
Molecular Weight270.10 g/mol
Exact Mass268.99
IUPAC Name7-bromo-4-ethyl-6-fluoro-4aH-quinolin-2-one
SMILESCCC1=CC(=O)N=C2C=C(Br)C(F)=CC12
InChIInChI=1S/C11H9BrFNO/c1-2-6-3-11(15)14-10-5-8(12)9(13)4-7(6)10/h3-5,7H,2H2,1H3
InChIKeyFRMLTSLRRGBCJX-UHFFFAOYSA-N
XLogP3.07
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.10
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(bromomethyl)-8-fluoro-4aH-quinolin-2-one
CID 74834377
3-fluoro-4-methyl-4aH-quinolin-2-one
CID 76130808
7-fluoro-4-methyl-4aH-quinolin-2-one
CID 76220766
7-bromo-4-(trifluoromethyl)-4aH-quinolin-2-one
CID 76453614
6-bromo-8-fluoro-8H-quinolin-2-one
CID 76769440
6-bromo-4-(trifluoromethyl)-4aH-quinolin-2-one
CID 77620930
8-fluoro-4-methyl-4aH-quinolin-2-one
CID 118797520
6-bromo-7-fluoro-4aH-quinolin-2-one
CID 146674693
6-fluoro-4-methyl-4aH-quinolin-2-one
CID 178186131
7-bromo-8-fluoro-4aH-quinolin-2-one
CID 178188336
4-bromo-7-fluoro-4aH-quinolin-2-one
CID 178188754
4-(bromomethyl)-6,8-dimethyl-4aH-quinolin-2-one
CID 45025006

Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-ethyl-6-fluoro-4aH-quinolin-2-one?
The IUPAC name of 7-bromo-4-ethyl-6-fluoro-4aH-quinolin-2-one (CID 178187714) is 7-bromo-4-ethyl-6-fluoro-4aH-quinolin-2-one.
What is the SMILES notation for 7-bromo-4-ethyl-6-fluoro-4aH-quinolin-2-one?
The canonical SMILES for 7-bromo-4-ethyl-6-fluoro-4aH-quinolin-2-one is CCC1=CC(=O)N=C2C=C(Br)C(F)=CC12.
What is the InChIKey of 7-bromo-4-ethyl-6-fluoro-4aH-quinolin-2-one?
The InChIKey is FRMLTSLRRGBCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrFNO/c1-2-6-3-11(15)14-10-5-8(12)9(13)4-7(6)10/h3-5,7H,2H2,1H3.
What are the key properties of 7-bromo-4-ethyl-6-fluoro-4aH-quinolin-2-one?
7-bromo-4-ethyl-6-fluoro-4aH-quinolin-2-one has a molecular weight of 270.10 g/mol, XLogP of 3.07, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4-ethyl-6-fluoro-4aH-quinolin-2-one is sourced from PubChem (CID 178187714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).