6-fluoro-4-pentoxyquinoline-2-carboxylic acid

C15H16FNO3 — CID 11391767

IUPAC6-fluoro-4-pentoxyquinoline-2-carboxylic acid
SMILESCCCCCOc1cc(C(=O)O)nc2ccc(F)cc12
InChIInChI=1S/C15H16FNO3/c1-2-3-4-7-20-14-9-13(15(18)19)17-12-6-5-10(16)8-11(12)14/h5-6,8-9H,2-4,7H2,1H3,(H,18,19)
InChIKeyORUWDYHWJJHANJ-UHFFFAOYSA-N
MW277.30 g/mol
LogP3.64
Rot. Bonds6

About 6-fluoro-4-pentoxyquinoline-2-carboxylic acid

6-fluoro-4-pentoxyquinoline-2-carboxylic acid (PubChem CID 11391767) has the molecular formula C15H16FNO3 and a molecular weight of 277.30 g/mol. Its IUPAC name is 6-fluoro-4-pentoxyquinoline-2-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-4-pentoxyquinoline-2-carboxylic acid
PubChem CID11391767
Molecular FormulaC15H16FNO3
Molecular Weight277.30 g/mol
Exact Mass277.11
IUPAC Name6-fluoro-4-pentoxyquinoline-2-carboxylic acid
SMILESCCCCCOc1cc(C(=O)O)nc2ccc(F)cc12
InChIInChI=1S/C15H16FNO3/c1-2-3-4-7-20-14-9-13(15(18)19)17-12-6-5-10(16)8-11(12)14/h5-6,8-9H,2-4,7H2,1H3,(H,18,19)
InChIKeyORUWDYHWJJHANJ-UHFFFAOYSA-N
XLogP3.64
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-fluoro-4-pentoxyquinoline-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-fluoro-4-(2-phenylethoxy)quinoline-2-carboxylic acid
CID 11483742
methyl 4-(2-chloroethoxy)-6-fluoroquinoline-2-carboxylate
CID 11482982
methyl 6-fluoro-4-(3-phenoxypropoxy)quinoline-2-carboxylate
CID 11462395
5-fluoro-2-nonoxybenzoic acid
CID 115297915
methyl 4-[2-(4-bromophenoxy)ethoxy]-6-fluoroquinoline-2-carboxylate
CID 11281563
4-(1,3-benzothiazol-2-ylmethoxy)-6-fluoroquinoline-2-carboxylic acid
CID 11233526
6-(2-butoxy-4-fluorophenyl)pyrazine-2-carboxylic acid
CID 77091431
6-fluoro-2-[5-(4-nonoxyphenyl)-2-pyridinyl]quinoline-4-carboxylic acid
CID 156802368
5-fluoro-2-pentoxybenzoyl chloride
CID 91655742
3,4,5-tri(dotriacontoxy)benzoic acid
CID 175251089
4-(2-carboxyethoxy)quinoline-2-carboxylic acid
CID 15166978
2-[4-(2-butoxyphenyl)-3-methylphenyl]-6-fluoroquinoline-4-carboxylic acid
CID 175339893

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-pentoxyquinoline-2-carboxylic acid?
The IUPAC name of 6-fluoro-4-pentoxyquinoline-2-carboxylic acid (CID 11391767) is 6-fluoro-4-pentoxyquinoline-2-carboxylic acid.
What is the SMILES notation for 6-fluoro-4-pentoxyquinoline-2-carboxylic acid?
The canonical SMILES for 6-fluoro-4-pentoxyquinoline-2-carboxylic acid is CCCCCOc1cc(C(=O)O)nc2ccc(F)cc12.
What is the InChIKey of 6-fluoro-4-pentoxyquinoline-2-carboxylic acid?
The InChIKey is ORUWDYHWJJHANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO3/c1-2-3-4-7-20-14-9-13(15(18)19)17-12-6-5-10(16)8-11(12)14/h5-6,8-9H,2-4,7H2,1H3,(H,18,19).
What are the key properties of 6-fluoro-4-pentoxyquinoline-2-carboxylic acid?
6-fluoro-4-pentoxyquinoline-2-carboxylic acid has a molecular weight of 277.30 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-pentoxyquinoline-2-carboxylic acid is sourced from PubChem (CID 11391767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).