2-[1-ethyl-2-(2-fluorophenyl)-3,4-dihydro-2H-quinolin-6-yl]acetic acid

C19H20FNO2 — CID 18959588

IUPAC2-[1-ethyl-2-(2-fluorophenyl)-3,4-dihydro-2H-quinolin-6-yl]acetic acid
SMILESCCN1c2ccc(CC(=O)O)cc2CCC1c1ccccc1F
InChIInChI=1S/C19H20FNO2/c1-2-21-17-9-7-13(12-19(22)23)11-14(17)8-10-18(21)15-5-3-4-6-16(15)20/h3-7,9,11,18H,2,8,10,12H2,1H3,(H,22,23)
InChIKeyXYYVZVIPQLKOOR-UHFFFAOYSA-N
MW313.37 g/mol
LogP3.97
Rot. Bonds4

About 2-[1-ethyl-2-(2-fluorophenyl)-3,4-dihydro-2H-quinolin-6-yl]acetic acid

2-[1-ethyl-2-(2-fluorophenyl)-3,4-dihydro-2H-quinolin-6-yl]acetic acid (PubChem CID 18959588) has the molecular formula C19H20FNO2 and a molecular weight of 313.37 g/mol. Its IUPAC name is 2-[1-ethyl-2-(2-fluorophenyl)-3,4-dihydro-2H-quinolin-6-yl]acetic acid.

Molecular Properties

Compound Name2-[1-ethyl-2-(2-fluorophenyl)-3,4-dihydro-2H-quinolin-6-yl]acetic acid
PubChem CID18959588
Molecular FormulaC19H20FNO2
Molecular Weight313.37 g/mol
Exact Mass313.15
IUPAC Name2-[1-ethyl-2-(2-fluorophenyl)-3,4-dihydro-2H-quinolin-6-yl]acetic acid
SMILESCCN1c2ccc(CC(=O)O)cc2CCC1c1ccccc1F
InChIInChI=1S/C19H20FNO2/c1-2-21-17-9-7-13(12-19(22)23)11-14(17)8-10-18(21)15-5-3-4-6-16(15)20/h3-7,9,11,18H,2,8,10,12H2,1H3,(H,22,23)
InChIKeyXYYVZVIPQLKOOR-UHFFFAOYSA-N
XLogP3.97
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-ethyl-2-(2-fluorophenyl)-3,4-dihydro-2H-quinolin-6-yl]acetic acid?
The IUPAC name of 2-[1-ethyl-2-(2-fluorophenyl)-3,4-dihydro-2H-quinolin-6-yl]acetic acid (CID 18959588) is 2-[1-ethyl-2-(2-fluorophenyl)-3,4-dihydro-2H-quinolin-6-yl]acetic acid.
What is the SMILES notation for 2-[1-ethyl-2-(2-fluorophenyl)-3,4-dihydro-2H-quinolin-6-yl]acetic acid?
The canonical SMILES for 2-[1-ethyl-2-(2-fluorophenyl)-3,4-dihydro-2H-quinolin-6-yl]acetic acid is CCN1c2ccc(CC(=O)O)cc2CCC1c1ccccc1F.
What is the InChIKey of 2-[1-ethyl-2-(2-fluorophenyl)-3,4-dihydro-2H-quinolin-6-yl]acetic acid?
The InChIKey is XYYVZVIPQLKOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO2/c1-2-21-17-9-7-13(12-19(22)23)11-14(17)8-10-18(21)15-5-3-4-6-16(15)20/h3-7,9,11,18H,2,8,10,12H2,1H3,(H,22,23).
What are the key properties of 2-[1-ethyl-2-(2-fluorophenyl)-3,4-dihydro-2H-quinolin-6-yl]acetic acid?
2-[1-ethyl-2-(2-fluorophenyl)-3,4-dihydro-2H-quinolin-6-yl]acetic acid has a molecular weight of 313.37 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-ethyl-2-(2-fluorophenyl)-3,4-dihydro-2H-quinolin-6-yl]acetic acid is sourced from PubChem (CID 18959588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).