6-[(4-fluorophenyl)methoxy]-4-oxo-1H-quinoline-3-carboxylic acid

C17H12FNO4 — CID 70992531

IUPAC6-[(4-fluorophenyl)methoxy]-4-oxo-1H-quinoline-3-carboxylic acid
SMILESO=C(O)c1c[nH]c2ccc(OCc3ccc(F)cc3)cc2c1=O
InChIInChI=1S/C17H12FNO4/c18-11-3-1-10(2-4-11)9-23-12-5-6-15-13(7-12)16(20)14(8-19-15)17(21)22/h1-8H,9H2,(H,19,20)(H,21,22)
InChIKeyNCQZDARERSLLOX-UHFFFAOYSA-N
MW313.28 g/mol
LogP2.94
Rot. Bonds4

About 6-[(4-fluorophenyl)methoxy]-4-oxo-1H-quinoline-3-carboxylic acid

6-[(4-fluorophenyl)methoxy]-4-oxo-1H-quinoline-3-carboxylic acid (PubChem CID 70992531) has the molecular formula C17H12FNO4 and a molecular weight of 313.28 g/mol. Its IUPAC name is 6-[(4-fluorophenyl)methoxy]-4-oxo-1H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name6-[(4-fluorophenyl)methoxy]-4-oxo-1H-quinoline-3-carboxylic acid
PubChem CID70992531
Molecular FormulaC17H12FNO4
Molecular Weight313.28 g/mol
Exact Mass313.08
IUPAC Name6-[(4-fluorophenyl)methoxy]-4-oxo-1H-quinoline-3-carboxylic acid
SMILESO=C(O)c1c[nH]c2ccc(OCc3ccc(F)cc3)cc2c1=O
InChIInChI=1S/C17H12FNO4/c18-11-3-1-10(2-4-11)9-23-12-5-6-15-13(7-12)16(20)14(8-19-15)17(21)22/h1-8H,9H2,(H,19,20)(H,21,22)
InChIKeyNCQZDARERSLLOX-UHFFFAOYSA-N
XLogP2.94
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.28
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-oxo-6-[[4-(trifluoromethyl)phenyl]methoxy]-1H-quinoline-3-carboxylic acid
CID 162518072
6,7-bis[(4-methoxyphenyl)methoxy]-4-oxo-1H-quinoline-3-carboxylic acid
CID 118451648
2-chloro-1-(5-phenylmethoxy-1H-indol-3-yl)ethanone
CID 10891912
6-hexyl-4-oxo-1H-quinoline-3-carboxylic acid
CID 118577946
3-benzoyl-6-ethoxy-1H-quinolin-4-one
CID 4605296
4-oxo-N-(3-phenylmethoxyphenyl)-1H-quinoline-3-carboxamide
CID 137464807
5-[[2-(propan-2-ylamino)-4-pyridinyl]methoxy]-1H-indole-3-carboxylic acid
CID 67535136
3-(dimethylamino)-1-(5-phenylmethoxy-1H-indol-3-yl)propan-1-one
CID 170858023
4-[(4-fluorophenoxy)methyl]-2-methylbenzoic acid
CID 117220532
2-azido-1-(5-phenylmethoxy-1H-indol-3-yl)ethanone
CID 10902848
(2S)-2-[2-(4-fluorophenyl)ethylamino]-2-phenyl-1-(6-phenylmethoxy-1H-indol-3-yl)ethanone
CID 139422927
6-[[2-fluoro-4-(2-fluoro-4-pyridinyl)phenyl]methyl]-4-oxo-1H-quinoline-3-carboxylic acid
CID 69011082

Frequently Asked Questions

What is the IUPAC name of 6-[(4-fluorophenyl)methoxy]-4-oxo-1H-quinoline-3-carboxylic acid?
The IUPAC name of 6-[(4-fluorophenyl)methoxy]-4-oxo-1H-quinoline-3-carboxylic acid (CID 70992531) is 6-[(4-fluorophenyl)methoxy]-4-oxo-1H-quinoline-3-carboxylic acid.
What is the SMILES notation for 6-[(4-fluorophenyl)methoxy]-4-oxo-1H-quinoline-3-carboxylic acid?
The canonical SMILES for 6-[(4-fluorophenyl)methoxy]-4-oxo-1H-quinoline-3-carboxylic acid is O=C(O)c1c[nH]c2ccc(OCc3ccc(F)cc3)cc2c1=O.
What is the InChIKey of 6-[(4-fluorophenyl)methoxy]-4-oxo-1H-quinoline-3-carboxylic acid?
The InChIKey is NCQZDARERSLLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FNO4/c18-11-3-1-10(2-4-11)9-23-12-5-6-15-13(7-12)16(20)14(8-19-15)17(21)22/h1-8H,9H2,(H,19,20)(H,21,22).
What are the key properties of 6-[(4-fluorophenyl)methoxy]-4-oxo-1H-quinoline-3-carboxylic acid?
6-[(4-fluorophenyl)methoxy]-4-oxo-1H-quinoline-3-carboxylic acid has a molecular weight of 313.28 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-fluorophenyl)methoxy]-4-oxo-1H-quinoline-3-carboxylic acid is sourced from PubChem (CID 70992531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).