4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-fluorobenzoic acid

C17H16FNO2 — CID 106699040

IUPAC4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-fluorobenzoic acid
SMILESO=C(O)c1ccc(CN2CCCc3ccccc32)cc1F
InChIInChI=1S/C17H16FNO2/c18-15-10-12(7-8-14(15)17(20)21)11-19-9-3-5-13-4-1-2-6-16(13)19/h1-2,4,6-8,10H,3,5,9,11H2,(H,20,21)
InChIKeyBEJSXCFUTFAXCH-UHFFFAOYSA-N
MW285.32 g/mol
LogP3.48
Rot. Bonds3

About 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-fluorobenzoic acid

4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-fluorobenzoic acid (PubChem CID 106699040) has the molecular formula C17H16FNO2 and a molecular weight of 285.32 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-fluorobenzoic acid.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-fluorobenzoic acid
PubChem CID106699040
Molecular FormulaC17H16FNO2
Molecular Weight285.32 g/mol
Exact Mass285.12
IUPAC Name4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-fluorobenzoic acid
SMILESO=C(O)c1ccc(CN2CCCc3ccccc32)cc1F
InChIInChI=1S/C17H16FNO2/c18-15-10-12(7-8-14(15)17(20)21)11-19-9-3-5-13-4-1-2-6-16(13)19/h1-2,4,6-8,10H,3,5,9,11H2,(H,20,21)
InChIKeyBEJSXCFUTFAXCH-UHFFFAOYSA-N
XLogP3.48
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-4-[(2-oxopiperidin-1-yl)methyl]benzoic acid
CID 106698788
5-(3,4-dihydro-2H-quinolin-1-ylmethyl)pyridine-3-carboxylic acid
CID 117212734
N-(2,4-difluorophenyl)-4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzamide
CID 38005181
2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylmethyl)aniline
CID 28721399
5-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-methoxyphenol
CID 82975067
2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)acetic acid
CID 54483331
3-(2,3-dihydroindol-1-ylmethyl)-4-fluorobenzoic acid
CID 63074922
5-(3,4-dihydro-2H-quinolin-1-ylmethyl)furan-3-carboxylic acid
CID 55054315
2-[5-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-methoxyphenoxy]acetamide
CID 86785685
2-(3,4,5,6-tetrahydro-2H-1-benzazocin-1-yl)acetic acid
CID 119994270
1-[(4-bromo-2-fluorophenyl)methyl]-3,4-dihydro-2H-quinoline
CID 60644856
4-[(8-chloro-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]benzoic acid
CID 168861218

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-fluorobenzoic acid?
The IUPAC name of 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-fluorobenzoic acid (CID 106699040) is 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-fluorobenzoic acid.
What is the SMILES notation for 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-fluorobenzoic acid?
The canonical SMILES for 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-fluorobenzoic acid is O=C(O)c1ccc(CN2CCCc3ccccc32)cc1F.
What is the InChIKey of 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-fluorobenzoic acid?
The InChIKey is BEJSXCFUTFAXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO2/c18-15-10-12(7-8-14(15)17(20)21)11-19-9-3-5-13-4-1-2-6-16(13)19/h1-2,4,6-8,10H,3,5,9,11H2,(H,20,21).
What are the key properties of 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-fluorobenzoic acid?
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-fluorobenzoic acid has a molecular weight of 285.32 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-fluorobenzoic acid is sourced from PubChem (CID 106699040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).