6-fluoro-4-(2-phenylethoxy)quinoline-2-carboxylic acid

C18H14FNO3 — CID 11483742

IUPAC6-fluoro-4-(2-phenylethoxy)quinoline-2-carboxylic acid
SMILESO=C(O)c1cc(OCCc2ccccc2)c2cc(F)ccc2n1
InChIInChI=1S/C18H14FNO3/c19-13-6-7-15-14(10-13)17(11-16(20-15)18(21)22)23-9-8-12-4-2-1-3-5-12/h1-7,10-11H,8-9H2,(H,21,22)
InChIKeyBIFUNIOZHLFNQZ-UHFFFAOYSA-N
MW311.31 g/mol
LogP3.69
Rot. Bonds5

About 6-fluoro-4-(2-phenylethoxy)quinoline-2-carboxylic acid

6-fluoro-4-(2-phenylethoxy)quinoline-2-carboxylic acid (PubChem CID 11483742) has the molecular formula C18H14FNO3 and a molecular weight of 311.31 g/mol. Its IUPAC name is 6-fluoro-4-(2-phenylethoxy)quinoline-2-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-4-(2-phenylethoxy)quinoline-2-carboxylic acid
PubChem CID11483742
Molecular FormulaC18H14FNO3
Molecular Weight311.31 g/mol
Exact Mass311.10
IUPAC Name6-fluoro-4-(2-phenylethoxy)quinoline-2-carboxylic acid
SMILESO=C(O)c1cc(OCCc2ccccc2)c2cc(F)ccc2n1
InChIInChI=1S/C18H14FNO3/c19-13-6-7-15-14(10-13)17(11-16(20-15)18(21)22)23-9-8-12-4-2-1-3-5-12/h1-7,10-11H,8-9H2,(H,21,22)
InChIKeyBIFUNIOZHLFNQZ-UHFFFAOYSA-N
XLogP3.69
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.31
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluoro-4-pentoxyquinoline-2-carboxylic acid
CID 11391767
4-(1,3-benzothiazol-2-ylmethoxy)-6-fluoroquinoline-2-carboxylic acid
CID 11233526
methyl 6-fluoro-4-(3-phenoxypropoxy)quinoline-2-carboxylate
CID 11462395
methyl 4-(2-chloroethoxy)-6-fluoroquinoline-2-carboxylate
CID 11482982
4-(2-carboxyethoxy)quinoline-2-carboxylic acid
CID 15166978
6-(dimethylamino)-4-phenylmethoxyquinoline-2-carboxylic acid
CID 102152725
4-fluoro-2-(3-phenylpropoxy)benzoic acid
CID 107014329
methyl 4-[2-(4-bromophenoxy)ethoxy]-6-fluoroquinoline-2-carboxylate
CID 11281563
methyl 4-[(2-chlorophenyl)methoxy]-6-fluoroquinoline-2-carboxylate
CID 53113123
4-(2-phenylethyl)quinoline-2-carboxylic acid;hydrochloride
CID 157400114
3,4-bis(phenylmethoxy)pyridine-2,6-dicarboxylic acid
CID 54512111
5-fluoro-2-(2-pyridin-4-ylethoxy)benzoic acid
CID 113281429

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-(2-phenylethoxy)quinoline-2-carboxylic acid?
The IUPAC name of 6-fluoro-4-(2-phenylethoxy)quinoline-2-carboxylic acid (CID 11483742) is 6-fluoro-4-(2-phenylethoxy)quinoline-2-carboxylic acid.
What is the SMILES notation for 6-fluoro-4-(2-phenylethoxy)quinoline-2-carboxylic acid?
The canonical SMILES for 6-fluoro-4-(2-phenylethoxy)quinoline-2-carboxylic acid is O=C(O)c1cc(OCCc2ccccc2)c2cc(F)ccc2n1.
What is the InChIKey of 6-fluoro-4-(2-phenylethoxy)quinoline-2-carboxylic acid?
The InChIKey is BIFUNIOZHLFNQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO3/c19-13-6-7-15-14(10-13)17(11-16(20-15)18(21)22)23-9-8-12-4-2-1-3-5-12/h1-7,10-11H,8-9H2,(H,21,22).
What are the key properties of 6-fluoro-4-(2-phenylethoxy)quinoline-2-carboxylic acid?
6-fluoro-4-(2-phenylethoxy)quinoline-2-carboxylic acid has a molecular weight of 311.31 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-(2-phenylethoxy)quinoline-2-carboxylic acid is sourced from PubChem (CID 11483742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).