3-bromo-5-chloro-7-fluoro-1H-quinolin-4-one

C9H4BrClFNO — CID 107370151

IUPAC3-bromo-5-chloro-7-fluoro-1H-quinolin-4-one
SMILESO=c1c(Br)c[nH]c2cc(F)cc(Cl)c12
InChIInChI=1S/C9H4BrClFNO/c10-5-3-13-7-2-4(12)1-6(11)8(7)9(5)14/h1-3H,(H,13,14)
InChIKeyGDHFEKDGHFDTCW-UHFFFAOYSA-N
MW276.49 g/mol
LogP3.08
Rot. Bonds

About 3-bromo-5-chloro-7-fluoro-1H-quinolin-4-one

3-bromo-5-chloro-7-fluoro-1H-quinolin-4-one (PubChem CID 107370151) has the molecular formula C9H4BrClFNO and a molecular weight of 276.49 g/mol. Its IUPAC name is 3-bromo-5-chloro-7-fluoro-1H-quinolin-4-one.

Molecular Properties

Compound Name3-bromo-5-chloro-7-fluoro-1H-quinolin-4-one
PubChem CID107370151
Molecular FormulaC9H4BrClFNO
Molecular Weight276.49 g/mol
Exact Mass274.91
IUPAC Name3-bromo-5-chloro-7-fluoro-1H-quinolin-4-one
SMILESO=c1c(Br)c[nH]c2cc(F)cc(Cl)c12
InChIInChI=1S/C9H4BrClFNO/c10-5-3-13-7-2-4(12)1-6(11)8(7)9(5)14/h1-3H,(H,13,14)
InChIKeyGDHFEKDGHFDTCW-UHFFFAOYSA-N
XLogP3.08
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.49
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-chloro-7-fluoro-3-iodo-1H-quinolin-4-one
CID 107370154
6-bromo-3-chloro-7-fluoro-1H-quinolin-4-one
CID 114759586
3,5-dibromo-8-chloro-1H-quinolin-4-one
CID 114759466
5-chloro-3-ethyl-7-fluoro-2-methyl-1H-quinolin-4-one
CID 107370190
5-chloro-2-ethyl-7-fluoro-3-methyl-1H-quinolin-4-one
CID 107370200
5-chloro-7-fluoro-2-methyl-1H-quinolin-4-one
CID 107370193
3-bromo-5-chloro-6-fluoro-1H-indole
CID 84706657
3-bromo-8-chloro-5-methyl-1H-quinolin-4-one
CID 107627876
3-chloro-6-fluoro-1H-quinolin-4-one
CID 45118012
3-bromo-6-fluoro-8-methoxy-1H-quinolin-4-one
CID 114759442
6-bromo-3-chloro-5-fluoro-8-methyl-1H-quinolin-4-one
CID 114759607
3-bromo-6-(diethylamino)-1H-quinolin-4-one
CID 114759474

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-7-fluoro-1H-quinolin-4-one?
The IUPAC name of 3-bromo-5-chloro-7-fluoro-1H-quinolin-4-one (CID 107370151) is 3-bromo-5-chloro-7-fluoro-1H-quinolin-4-one.
What is the SMILES notation for 3-bromo-5-chloro-7-fluoro-1H-quinolin-4-one?
The canonical SMILES for 3-bromo-5-chloro-7-fluoro-1H-quinolin-4-one is O=c1c(Br)c[nH]c2cc(F)cc(Cl)c12.
What is the InChIKey of 3-bromo-5-chloro-7-fluoro-1H-quinolin-4-one?
The InChIKey is GDHFEKDGHFDTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4BrClFNO/c10-5-3-13-7-2-4(12)1-6(11)8(7)9(5)14/h1-3H,(H,13,14).
What are the key properties of 3-bromo-5-chloro-7-fluoro-1H-quinolin-4-one?
3-bromo-5-chloro-7-fluoro-1H-quinolin-4-one has a molecular weight of 276.49 g/mol, XLogP of 3.08, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-7-fluoro-1H-quinolin-4-one is sourced from PubChem (CID 107370151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).