5-fluoro-4-oxo-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)quinoline-3-carboxylic acid

C21H18FNO3 — CID 170984861

IUPAC5-fluoro-4-oxo-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)quinoline-3-carboxylic acid
SMILESO=C(O)c1cn(CC2CCCc3ccccc32)c2cccc(F)c2c1=O
InChIInChI=1S/C21H18FNO3/c22-17-9-4-10-18-19(17)20(24)16(21(25)26)12-23(18)11-14-7-3-6-13-5-1-2-8-15(13)14/h1-2,4-5,8-10,12,14H,3,6-7,11H2,(H,25,26)
InChIKeyJFXTWUATCCPBTB-UHFFFAOYSA-N
MW351.38 g/mol
LogP3.96
Rot. Bonds3

About 5-fluoro-4-oxo-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)quinoline-3-carboxylic acid

5-fluoro-4-oxo-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)quinoline-3-carboxylic acid (PubChem CID 170984861) has the molecular formula C21H18FNO3 and a molecular weight of 351.38 g/mol. Its IUPAC name is 5-fluoro-4-oxo-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)quinoline-3-carboxylic acid.

Molecular Properties

Compound Name5-fluoro-4-oxo-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)quinoline-3-carboxylic acid
PubChem CID170984861
Molecular FormulaC21H18FNO3
Molecular Weight351.38 g/mol
Exact Mass351.13
IUPAC Name5-fluoro-4-oxo-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)quinoline-3-carboxylic acid
SMILESO=C(O)c1cn(CC2CCCc3ccccc32)c2cccc(F)c2c1=O
InChIInChI=1S/C21H18FNO3/c22-17-9-4-10-18-19(17)20(24)16(21(25)26)12-23(18)11-14-7-3-6-13-5-1-2-8-15(13)14/h1-2,4-5,8-10,12,14H,3,6-7,11H2,(H,25,26)
InChIKeyJFXTWUATCCPBTB-UHFFFAOYSA-N
XLogP3.96
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrole-3-carboxylic acid
CID 79104229
2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1,3,2-dioxazolidine-4,5-dione
CID 44784874
1-ethyl-4-oxo-6-(1,2,3,4-tetrahydronaphthalen-1-ylamino)quinoline-3-carboxylic acid
CID 141078293
1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-fluoro-4-oxoquinoline-3-carboxylic acid
CID 46187846
4-chloro-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)indole
CID 116623661
5-fluoro-1-[(4-imidazol-1-ylphenyl)methyl]-4-oxoquinoline-3-carboxylic acid
CID 46232994
2-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)imidazole-4-carboxylic acid
CID 65172704
1-[[4-(4-ethenylpyrazol-1-yl)phenyl]methyl]-5-fluoro-4-oxoquinoline-3-carboxylic acid
CID 58297059
1-methylsulfanyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one
CID 63772473
[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperidin-4-yl]methanol
CID 55242278
3-chloro-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrolidine
CID 63771318
2-fluoro-4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)benzoic acid
CID 115485174

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-oxo-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)quinoline-3-carboxylic acid?
The IUPAC name of 5-fluoro-4-oxo-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)quinoline-3-carboxylic acid (CID 170984861) is 5-fluoro-4-oxo-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)quinoline-3-carboxylic acid.
What is the SMILES notation for 5-fluoro-4-oxo-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)quinoline-3-carboxylic acid?
The canonical SMILES for 5-fluoro-4-oxo-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)quinoline-3-carboxylic acid is O=C(O)c1cn(CC2CCCc3ccccc32)c2cccc(F)c2c1=O.
What is the InChIKey of 5-fluoro-4-oxo-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)quinoline-3-carboxylic acid?
The InChIKey is JFXTWUATCCPBTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FNO3/c22-17-9-4-10-18-19(17)20(24)16(21(25)26)12-23(18)11-14-7-3-6-13-5-1-2-8-15(13)14/h1-2,4-5,8-10,12,14H,3,6-7,11H2,(H,25,26).
What are the key properties of 5-fluoro-4-oxo-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)quinoline-3-carboxylic acid?
5-fluoro-4-oxo-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)quinoline-3-carboxylic acid has a molecular weight of 351.38 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-oxo-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)quinoline-3-carboxylic acid is sourced from PubChem (CID 170984861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).