2-(7-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)acetic acid

C14H18FNO2 — CID 133219815

IUPAC2-(7-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)acetic acid
SMILESCC1CC(C)(C)N(CC(=O)O)c2cc(F)ccc21
InChIInChI=1S/C14H18FNO2/c1-9-7-14(2,3)16(8-13(17)18)12-6-10(15)4-5-11(9)12/h4-6,9H,7-8H2,1-3H3,(H,17,18)
InChIKeyYUTBSIQAIXDFIZ-UHFFFAOYSA-N
MW251.30 g/mol
LogP3.00
Rot. Bonds2

About 2-(7-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)acetic acid

2-(7-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)acetic acid (PubChem CID 133219815) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 2-(7-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(7-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)acetic acid
PubChem CID133219815
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name2-(7-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)acetic acid
SMILESCC1CC(C)(C)N(CC(=O)O)c2cc(F)ccc21
InChIInChI=1S/C14H18FNO2/c1-9-7-14(2,3)16(8-13(17)18)12-6-10(15)4-5-11(9)12/h4-6,9H,7-8H2,1-3H3,(H,17,18)
InChIKeyYUTBSIQAIXDFIZ-UHFFFAOYSA-N
XLogP3.00
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-1-(7-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)propan-1-one
CID 133219812
2-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)acetate
CID 20695985
1-(6-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone
CID 91670616
2-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)acetohydrazide
CID 132649450
1-(4-fluoro-1a-methyl-1,6b-dihydrocyclopropa[b]indol-2-yl)propan-1-one
CID 135062760
1-benzyl-7-chloro-2,2,4-trimethyl-3,4-dihydroquinoline
CID 21498615
1-ethyl-2,2,4-trimethyl-3,4-dihydroquinoline-6-carboxylic acid
CID 133202959
[1-acetyloxy-3-(2,2,4,7-tetramethyl-3,4-dihydroquinolin-1-yl)propyl] acetate
CID 57307043
methyl (2R)-2-[(4R)-6-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]-3-methylbutanoate
CID 125044410
2,2,4,7-tetramethyl-1-(2-sulfosulfanylethyl)-3,4-dihydroquinoline
CID 70544218
2-[(4E)-4-[(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 50860719
(4R)-7-fluoro-2,2,4-trimethyl-3,4-dihydro-1H-quinoline
CID 97297931

Frequently Asked Questions

What is the IUPAC name of 2-(7-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)acetic acid?
The IUPAC name of 2-(7-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)acetic acid (CID 133219815) is 2-(7-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)acetic acid.
What is the SMILES notation for 2-(7-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)acetic acid?
The canonical SMILES for 2-(7-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)acetic acid is CC1CC(C)(C)N(CC(=O)O)c2cc(F)ccc21.
What is the InChIKey of 2-(7-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)acetic acid?
The InChIKey is YUTBSIQAIXDFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-9-7-14(2,3)16(8-13(17)18)12-6-10(15)4-5-11(9)12/h4-6,9H,7-8H2,1-3H3,(H,17,18).
What are the key properties of 2-(7-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)acetic acid?
2-(7-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)acetic acid has a molecular weight of 251.30 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)acetic acid is sourced from PubChem (CID 133219815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).