5-chloro-2-ethyl-7-fluoro-3-methyl-1H-quinolin-4-one

C12H11ClFNO — CID 107370200

IUPAC5-chloro-2-ethyl-7-fluoro-3-methyl-1H-quinolin-4-one
SMILESCCc1[nH]c2cc(F)cc(Cl)c2c(=O)c1C
InChIInChI=1S/C12H11ClFNO/c1-3-9-6(2)12(16)11-8(13)4-7(14)5-10(11)15-9/h4-5H,3H2,1-2H3,(H,15,16)
InChIKeyMWSJCOQOFJKUOH-UHFFFAOYSA-N
MW239.68 g/mol
LogP3.19
Rot. Bonds1

About 5-chloro-2-ethyl-7-fluoro-3-methyl-1H-quinolin-4-one

5-chloro-2-ethyl-7-fluoro-3-methyl-1H-quinolin-4-one (PubChem CID 107370200) has the molecular formula C12H11ClFNO and a molecular weight of 239.68 g/mol. Its IUPAC name is 5-chloro-2-ethyl-7-fluoro-3-methyl-1H-quinolin-4-one.

Molecular Properties

Compound Name5-chloro-2-ethyl-7-fluoro-3-methyl-1H-quinolin-4-one
PubChem CID107370200
Molecular FormulaC12H11ClFNO
Molecular Weight239.68 g/mol
Exact Mass239.05
IUPAC Name5-chloro-2-ethyl-7-fluoro-3-methyl-1H-quinolin-4-one
SMILESCCc1[nH]c2cc(F)cc(Cl)c2c(=O)c1C
InChIInChI=1S/C12H11ClFNO/c1-3-9-6(2)12(16)11-8(13)4-7(14)5-10(11)15-9/h4-5H,3H2,1-2H3,(H,15,16)
InChIKeyMWSJCOQOFJKUOH-UHFFFAOYSA-N
XLogP3.19
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.68
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Launch Full Analysis

Related Compounds

2-ethyl-7-fluoro-3,5-dimethyl-1H-quinolin-4-one
CID 79050327
2-ethyl-5,7-difluoro-3-methyl-1H-quinolin-4-one
CID 63561464
5-chloro-3-ethyl-7-fluoro-2-methyl-1H-quinolin-4-one
CID 107370190
7-chloro-2-ethyl-6-fluoro-3-methyl-1H-quinolin-4-one
CID 22222519
2-ethyl-6,7-difluoro-3-methyl-1H-quinolin-4-one
CID 22222510
5-chloro-7-fluoro-2-methyl-1H-quinolin-4-one
CID 107370193
2-ethyl-5,6,8-trifluoro-3-methyl-1H-quinolin-4-one
CID 63561305
2-ethyl-6,8-difluoro-3-methyl-1H-quinolin-4-one
CID 63561297
5-chloro-2-ethyl-3,8-dimethyl-1H-quinolin-4-one
CID 63561110
8-chloro-2-ethyl-3,5-dimethyl-1H-quinolin-4-one
CID 107628016
5-chloro-7-fluoro-3-iodo-1H-quinolin-4-one
CID 107370154
3-bromo-5-chloro-7-fluoro-1H-quinolin-4-one
CID 107370151

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-ethyl-7-fluoro-3-methyl-1H-quinolin-4-one?
The IUPAC name of 5-chloro-2-ethyl-7-fluoro-3-methyl-1H-quinolin-4-one (CID 107370200) is 5-chloro-2-ethyl-7-fluoro-3-methyl-1H-quinolin-4-one.
What is the SMILES notation for 5-chloro-2-ethyl-7-fluoro-3-methyl-1H-quinolin-4-one?
The canonical SMILES for 5-chloro-2-ethyl-7-fluoro-3-methyl-1H-quinolin-4-one is CCc1[nH]c2cc(F)cc(Cl)c2c(=O)c1C.
What is the InChIKey of 5-chloro-2-ethyl-7-fluoro-3-methyl-1H-quinolin-4-one?
The InChIKey is MWSJCOQOFJKUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFNO/c1-3-9-6(2)12(16)11-8(13)4-7(14)5-10(11)15-9/h4-5H,3H2,1-2H3,(H,15,16).
What are the key properties of 5-chloro-2-ethyl-7-fluoro-3-methyl-1H-quinolin-4-one?
5-chloro-2-ethyl-7-fluoro-3-methyl-1H-quinolin-4-one has a molecular weight of 239.68 g/mol, XLogP of 3.19, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-ethyl-7-fluoro-3-methyl-1H-quinolin-4-one is sourced from PubChem (CID 107370200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).