5-fluoro-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)benzoic acid

C17H16FNO2 — CID 63535830

IUPAC5-fluoro-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)benzoic acid
SMILESCC1Cc2ccccc2N(c2ccc(F)cc2C(=O)O)C1
InChIInChI=1S/C17H16FNO2/c1-11-8-12-4-2-3-5-15(12)19(10-11)16-7-6-13(18)9-14(16)17(20)21/h2-7,9,11H,8,10H2,1H3,(H,20,21)
InChIKeyYKXOHHZLOWLYSU-UHFFFAOYSA-N
MW285.32 g/mol
LogP3.85
Rot. Bonds2

About 5-fluoro-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)benzoic acid

5-fluoro-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)benzoic acid (PubChem CID 63535830) has the molecular formula C17H16FNO2 and a molecular weight of 285.32 g/mol. Its IUPAC name is 5-fluoro-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)benzoic acid.

Molecular Properties

Compound Name5-fluoro-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)benzoic acid
PubChem CID63535830
Molecular FormulaC17H16FNO2
Molecular Weight285.32 g/mol
Exact Mass285.12
IUPAC Name5-fluoro-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)benzoic acid
SMILESCC1Cc2ccccc2N(c2ccc(F)cc2C(=O)O)C1
InChIInChI=1S/C17H16FNO2/c1-11-8-12-4-2-3-5-15(12)19(10-11)16-7-6-13(18)9-14(16)17(20)21/h2-7,9,11H,8,10H2,1H3,(H,20,21)
InChIKeyYKXOHHZLOWLYSU-UHFFFAOYSA-N
XLogP3.85
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)benzoic acid?
The IUPAC name of 5-fluoro-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)benzoic acid (CID 63535830) is 5-fluoro-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)benzoic acid.
What is the SMILES notation for 5-fluoro-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)benzoic acid?
The canonical SMILES for 5-fluoro-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)benzoic acid is CC1Cc2ccccc2N(c2ccc(F)cc2C(=O)O)C1.
What is the InChIKey of 5-fluoro-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)benzoic acid?
The InChIKey is YKXOHHZLOWLYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO2/c1-11-8-12-4-2-3-5-15(12)19(10-11)16-7-6-13(18)9-14(16)17(20)21/h2-7,9,11H,8,10H2,1H3,(H,20,21).
What are the key properties of 5-fluoro-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)benzoic acid?
5-fluoro-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)benzoic acid has a molecular weight of 285.32 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)benzoic acid is sourced from PubChem (CID 63535830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).