5-fluoro-7-methoxyquinoline-3-carboxylic acid

C11H8FNO3 — CID 129247852

IUPAC5-fluoro-7-methoxyquinoline-3-carboxylic acid
SMILESCOc1cc(F)c2cc(C(=O)O)cnc2c1
InChIInChI=1S/C11H8FNO3/c1-16-7-3-9(12)8-2-6(11(14)15)5-13-10(8)4-7/h2-5H,1H3,(H,14,15)
InChIKeyYRRGUCJOVHIWPH-UHFFFAOYSA-N
MW221.19 g/mol
LogP2.08
Rot. Bonds2

About 5-fluoro-7-methoxyquinoline-3-carboxylic acid

5-fluoro-7-methoxyquinoline-3-carboxylic acid (PubChem CID 129247852) has the molecular formula C11H8FNO3 and a molecular weight of 221.19 g/mol. Its IUPAC name is 5-fluoro-7-methoxyquinoline-3-carboxylic acid.

Molecular Properties

Compound Name5-fluoro-7-methoxyquinoline-3-carboxylic acid
PubChem CID129247852
Molecular FormulaC11H8FNO3
Molecular Weight221.19 g/mol
Exact Mass221.05
IUPAC Name5-fluoro-7-methoxyquinoline-3-carboxylic acid
SMILESCOc1cc(F)c2cc(C(=O)O)cnc2c1
InChIInChI=1S/C11H8FNO3/c1-16-7-3-9(12)8-2-6(11(14)15)5-13-10(8)4-7/h2-5H,1H3,(H,14,15)
InChIKeyYRRGUCJOVHIWPH-UHFFFAOYSA-N
XLogP2.08
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.19
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

diethyl-[3-(5-fluoro-7-methoxyquinoline-3-carbonyl)oxypropyl]azanium
CID 145333179
4-(2,6-difluoro-4-methoxyphenyl)quinoline-6-carboxylic acid
CID 67961895
5,6-dimethoxypyridine-3-carboxylic acid
CID 12563086
6-(2-fluoro-5-methoxyphenyl)pyridine-3-carboxylic acid
CID 53223365
6-[(2-fluoro-4-methoxybenzoyl)amino]pyridine-3-carboxylic acid
CID 102881937
6-(3,5-dimethoxyphenoxy)pyridine-3-carboxylic acid
CID 43589848
3-(2,6-difluoro-4-methoxyphenyl)-4-methylbenzoic acid
CID 81475981
3-(2,6-difluoro-4-methoxyphenyl)-4-methoxybenzoic acid
CID 61026090
4-amino-7-methoxyquinoline-3-carboxylic acid
CID 50877276
5-chloro-6-(3-fluoro-4-methylphenoxy)pyridine-3-carboxylic acid
CID 107168816
6-(difluoromethyl)-5-fluoropyridine-3-carboxylic acid
CID 118826261
5-chloro-6-(4-methoxyphenoxy)pyridine-3-carboxylic acid
CID 16784776

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-7-methoxyquinoline-3-carboxylic acid?
The IUPAC name of 5-fluoro-7-methoxyquinoline-3-carboxylic acid (CID 129247852) is 5-fluoro-7-methoxyquinoline-3-carboxylic acid.
What is the SMILES notation for 5-fluoro-7-methoxyquinoline-3-carboxylic acid?
The canonical SMILES for 5-fluoro-7-methoxyquinoline-3-carboxylic acid is COc1cc(F)c2cc(C(=O)O)cnc2c1.
What is the InChIKey of 5-fluoro-7-methoxyquinoline-3-carboxylic acid?
The InChIKey is YRRGUCJOVHIWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNO3/c1-16-7-3-9(12)8-2-6(11(14)15)5-13-10(8)4-7/h2-5H,1H3,(H,14,15).
What are the key properties of 5-fluoro-7-methoxyquinoline-3-carboxylic acid?
5-fluoro-7-methoxyquinoline-3-carboxylic acid has a molecular weight of 221.19 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-7-methoxyquinoline-3-carboxylic acid is sourced from PubChem (CID 129247852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).