4-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-oxobutanoic acid

C14H16FNO3 — CID 3242096

IUPAC4-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-oxobutanoic acid
SMILESCC1CCc2cc(F)ccc2N1C(=O)CCC(=O)O
InChIInChI=1S/C14H16FNO3/c1-9-2-3-10-8-11(15)4-5-12(10)16(9)13(17)6-7-14(18)19/h4-5,8-9H,2-3,6-7H2,1H3,(H,18,19)
InChIKeyGESDDMICWLUQDY-UHFFFAOYSA-N
MW265.28 g/mol
LogP2.36
Rot. Bonds3

About 4-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-oxobutanoic acid

4-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-oxobutanoic acid (PubChem CID 3242096) has the molecular formula C14H16FNO3 and a molecular weight of 265.28 g/mol. Its IUPAC name is 4-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-oxobutanoic acid
PubChem CID3242096
Molecular FormulaC14H16FNO3
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC Name4-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-oxobutanoic acid
SMILESCC1CCc2cc(F)ccc2N1C(=O)CCC(=O)O
InChIInChI=1S/C14H16FNO3/c1-9-2-3-10-8-11(15)4-5-12(10)16(9)13(17)6-7-14(18)19/h4-5,8-9H,2-3,6-7H2,1H3,(H,18,19)
InChIKeyGESDDMICWLUQDY-UHFFFAOYSA-N
XLogP2.36
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-oxobutanoic acid?
The IUPAC name of 4-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-oxobutanoic acid (CID 3242096) is 4-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-oxobutanoic acid.
What is the SMILES notation for 4-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-oxobutanoic acid?
The canonical SMILES for 4-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-oxobutanoic acid is CC1CCc2cc(F)ccc2N1C(=O)CCC(=O)O.
What is the InChIKey of 4-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-oxobutanoic acid?
The InChIKey is GESDDMICWLUQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO3/c1-9-2-3-10-8-11(15)4-5-12(10)16(9)13(17)6-7-14(18)19/h4-5,8-9H,2-3,6-7H2,1H3,(H,18,19).
What are the key properties of 4-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-oxobutanoic acid?
4-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-oxobutanoic acid has a molecular weight of 265.28 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-oxobutanoic acid is sourced from PubChem (CID 3242096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).