methyl 2-(6-fluoro-2,2,4-trimethylquinolin-1-yl)butanoate

C17H22FNO2 — CID 132649976

IUPACmethyl 2-(6-fluoro-2,2,4-trimethylquinolin-1-yl)butanoate
SMILESCCC(C(=O)OC)N1c2ccc(F)cc2C(C)=CC1(C)C
InChIInChI=1S/C17H22FNO2/c1-6-14(16(20)21-5)19-15-8-7-12(18)9-13(15)11(2)10-17(19,3)4/h7-10,14H,6H2,1-5H3
InChIKeyARPBIPLYAJSQBN-UHFFFAOYSA-N
MW291.37 g/mol
LogP3.78
Rot. Bonds3

About methyl 2-(6-fluoro-2,2,4-trimethylquinolin-1-yl)butanoate

methyl 2-(6-fluoro-2,2,4-trimethylquinolin-1-yl)butanoate (PubChem CID 132649976) has the molecular formula C17H22FNO2 and a molecular weight of 291.37 g/mol. Its IUPAC name is methyl 2-(6-fluoro-2,2,4-trimethylquinolin-1-yl)butanoate.

Molecular Properties

Compound Namemethyl 2-(6-fluoro-2,2,4-trimethylquinolin-1-yl)butanoate
PubChem CID132649976
Molecular FormulaC17H22FNO2
Molecular Weight291.37 g/mol
Exact Mass291.16
IUPAC Namemethyl 2-(6-fluoro-2,2,4-trimethylquinolin-1-yl)butanoate
SMILESCCC(C(=O)OC)N1c2ccc(F)cc2C(C)=CC1(C)C
InChIInChI=1S/C17H22FNO2/c1-6-14(16(20)21-5)19-15-8-7-12(18)9-13(15)11(2)10-17(19,3)4/h7-10,14H,6H2,1-5H3
InChIKeyARPBIPLYAJSQBN-UHFFFAOYSA-N
XLogP3.78
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(2,2,4,8-tetramethylquinolin-1-yl)butanoate
CID 132649846
(2S)-2-(6-fluoro-2,2,4-trimethylquinolin-1-yl)-3-methylbutanoic acid
CID 125044776
methyl 2-(8-methoxy-2,2,4-trimethylquinolin-1-yl)pentanoate
CID 132650701
methyl 2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)butanoate
CID 110491164
methyl 2-(5-fluoro-2-methoxybenzoyl)butanoate
CID 116923588
6-ethoxy-2,2,4-trimethylquinoline-1-carbonyl chloride
CID 20558605
2-[(4-fluorophenyl)methylamino]-1-(2,2,4,7-tetramethylquinolin-1-yl)ethanone
CID 3604045
methyl (2R)-2-[4-(2-chloro-4-fluorophenyl)piperazine-1-carbonyl]butanoate
CID 124732237
methyl (2R)-2-[2-(2,5-difluorophenyl)ethylamino]butanoate
CID 129402328
methyl (2S)-2-(5-fluoro-2-methylphenoxy)propanoate
CID 103338283
methyl 2-[1-(5-fluoro-2-methoxyphenyl)ethylamino]butanoate
CID 115282443
methyl 2-(2-amino-5-fluorophenyl)sulfanylhexanoate
CID 113373527

Frequently Asked Questions

What is the IUPAC name of methyl 2-(6-fluoro-2,2,4-trimethylquinolin-1-yl)butanoate?
The IUPAC name of methyl 2-(6-fluoro-2,2,4-trimethylquinolin-1-yl)butanoate (CID 132649976) is methyl 2-(6-fluoro-2,2,4-trimethylquinolin-1-yl)butanoate.
What is the SMILES notation for methyl 2-(6-fluoro-2,2,4-trimethylquinolin-1-yl)butanoate?
The canonical SMILES for methyl 2-(6-fluoro-2,2,4-trimethylquinolin-1-yl)butanoate is CCC(C(=O)OC)N1c2ccc(F)cc2C(C)=CC1(C)C.
What is the InChIKey of methyl 2-(6-fluoro-2,2,4-trimethylquinolin-1-yl)butanoate?
The InChIKey is ARPBIPLYAJSQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO2/c1-6-14(16(20)21-5)19-15-8-7-12(18)9-13(15)11(2)10-17(19,3)4/h7-10,14H,6H2,1-5H3.
What are the key properties of methyl 2-(6-fluoro-2,2,4-trimethylquinolin-1-yl)butanoate?
methyl 2-(6-fluoro-2,2,4-trimethylquinolin-1-yl)butanoate has a molecular weight of 291.37 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6-fluoro-2,2,4-trimethylquinolin-1-yl)butanoate is sourced from PubChem (CID 132649976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).