8-fluoro-4-methoxy-5-methylquinoline-2-carboxylic acid

C12H10FNO3 — CID 102941896

IUPAC8-fluoro-4-methoxy-5-methylquinoline-2-carboxylic acid
SMILESCOc1cc(C(=O)O)nc2c(F)ccc(C)c12
InChIInChI=1S/C12H10FNO3/c1-6-3-4-7(13)11-10(6)9(17-2)5-8(14-11)12(15)16/h3-5H,1-2H3,(H,15,16)
InChIKeyCCZUARYDSGCSDX-UHFFFAOYSA-N
MW235.21 g/mol
LogP2.39
Rot. Bonds2

About 8-fluoro-4-methoxy-5-methylquinoline-2-carboxylic acid

8-fluoro-4-methoxy-5-methylquinoline-2-carboxylic acid (PubChem CID 102941896) has the molecular formula C12H10FNO3 and a molecular weight of 235.21 g/mol. Its IUPAC name is 8-fluoro-4-methoxy-5-methylquinoline-2-carboxylic acid.

Molecular Properties

Compound Name8-fluoro-4-methoxy-5-methylquinoline-2-carboxylic acid
PubChem CID102941896
Molecular FormulaC12H10FNO3
Molecular Weight235.21 g/mol
Exact Mass235.06
IUPAC Name8-fluoro-4-methoxy-5-methylquinoline-2-carboxylic acid
SMILESCOc1cc(C(=O)O)nc2c(F)ccc(C)c12
InChIInChI=1S/C12H10FNO3/c1-6-3-4-7(13)11-10(6)9(17-2)5-8(14-11)12(15)16/h3-5H,1-2H3,(H,15,16)
InChIKeyCCZUARYDSGCSDX-UHFFFAOYSA-N
XLogP2.39
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-chloro-5-fluoro-4-methoxyquinoline-2-carboxylic acid
CID 107531464
6,7,8-trifluoro-4-methoxyquinoline-2-carboxylic acid
CID 102941991
7-fluoro-4-methoxy-6-methylquinoline-2-carboxylic acid
CID 102942124
5,8-dimethoxyquinoline-2,4-dicarboxylic acid
CID 11119371
13-(4-chlorophenyl)-6-methoxy-11-methyl-8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene-4-carboxylic acid
CID 110193555
6-bromo-4-methoxy-5,7-dimethylquinoline-2-carboxylic acid
CID 107579495
7-chloro-4-methoxy-8-methylquinoline-2-carboxylic acid
CID 102941914
13-(4-chlorophenyl)-6-methoxy-11-methyl-8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene-4-carboxylic acid;dihydrate
CID 110193554
methyl 8-methoxy-5-methyl-4-propan-2-yloxyquinoline-2-carboxylate
CID 102941918
7-chloro-4-methoxy-6-methylquinoline-2-carboxylic acid
CID 102942140
2-chloro-8-methoxy-5-methylquinoline-4-carboxylic acid
CID 82184159
8-methoxy-4-(methylamino)quinoline-2-carboxylic acid
CID 84626797

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-4-methoxy-5-methylquinoline-2-carboxylic acid?
The IUPAC name of 8-fluoro-4-methoxy-5-methylquinoline-2-carboxylic acid (CID 102941896) is 8-fluoro-4-methoxy-5-methylquinoline-2-carboxylic acid.
What is the SMILES notation for 8-fluoro-4-methoxy-5-methylquinoline-2-carboxylic acid?
The canonical SMILES for 8-fluoro-4-methoxy-5-methylquinoline-2-carboxylic acid is COc1cc(C(=O)O)nc2c(F)ccc(C)c12.
What is the InChIKey of 8-fluoro-4-methoxy-5-methylquinoline-2-carboxylic acid?
The InChIKey is CCZUARYDSGCSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO3/c1-6-3-4-7(13)11-10(6)9(17-2)5-8(14-11)12(15)16/h3-5H,1-2H3,(H,15,16).
What are the key properties of 8-fluoro-4-methoxy-5-methylquinoline-2-carboxylic acid?
8-fluoro-4-methoxy-5-methylquinoline-2-carboxylic acid has a molecular weight of 235.21 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-4-methoxy-5-methylquinoline-2-carboxylic acid is sourced from PubChem (CID 102941896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).