1-fluoro-8-methoxy-5-methyl-4-oxoquinoline-3-carboxylic acid

C12H10FNO4 — CID 91116192

IUPAC1-fluoro-8-methoxy-5-methyl-4-oxoquinoline-3-carboxylic acid
SMILESCOc1ccc(C)c2c(=O)c(C(=O)O)cn(F)c12
InChIInChI=1S/C12H10FNO4/c1-6-3-4-8(18-2)10-9(6)11(15)7(12(16)17)5-14(10)13/h3-5H,1-2H3,(H,16,17)
InChIKeyRTCPLZIBYLAVMZ-UHFFFAOYSA-N
MW251.21 g/mol
LogP1.75
Rot. Bonds2

About 1-fluoro-8-methoxy-5-methyl-4-oxoquinoline-3-carboxylic acid

1-fluoro-8-methoxy-5-methyl-4-oxoquinoline-3-carboxylic acid (PubChem CID 91116192) has the molecular formula C12H10FNO4 and a molecular weight of 251.21 g/mol. Its IUPAC name is 1-fluoro-8-methoxy-5-methyl-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name1-fluoro-8-methoxy-5-methyl-4-oxoquinoline-3-carboxylic acid
PubChem CID91116192
Molecular FormulaC12H10FNO4
Molecular Weight251.21 g/mol
Exact Mass251.06
IUPAC Name1-fluoro-8-methoxy-5-methyl-4-oxoquinoline-3-carboxylic acid
SMILESCOc1ccc(C)c2c(=O)c(C(=O)O)cn(F)c12
InChIInChI=1S/C12H10FNO4/c1-6-3-4-8(18-2)10-9(6)11(15)7(12(16)17)5-14(10)13/h3-5H,1-2H3,(H,16,17)
InChIKeyRTCPLZIBYLAVMZ-UHFFFAOYSA-N
XLogP1.75
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.21
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-fluoro-8-methoxy-4-oxoquinoline-3-carbonyl) 1-fluoro-8-methoxy-4-oxoquinoline-3-carboxylate
CID 141360064
1-(7-methoxy-1,4-dimethylindol-3-yl)propan-2-one
CID 82495456
3,8-dimethyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid
CID 53212992
4-(7-methoxy-1,4-dimethylindol-3-yl)butanoic acid
CID 82500843
2-chloro-8-methoxy-5-methylquinoline-4-carboxylic acid
CID 82184159
7-methoxy-1,4-dimethylindole-2-carboxylic acid
CID 83486446
8-methoxy-5-methyl-4-(trifluoromethyl)quinoline-3-carboxylic acid
CID 16779833
5-methyl-4-oxo-1-(trifluoromethyl)quinoline-3-carboxylic acid
CID 151411022
1-(7-methoxy-1,2,4-trimethylindol-3-yl)ethanone
CID 82495458
6-methoxy-9-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole-10-carboxylic acid
CID 84638111
2-tert-butyl-8-methoxy-5-methylquinoline-4-carboxylic acid
CID 82184134
ethyl 4,7-dimethoxy-1-methylindole-3-carboxylate
CID 100984244

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-8-methoxy-5-methyl-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 1-fluoro-8-methoxy-5-methyl-4-oxoquinoline-3-carboxylic acid (CID 91116192) is 1-fluoro-8-methoxy-5-methyl-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 1-fluoro-8-methoxy-5-methyl-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 1-fluoro-8-methoxy-5-methyl-4-oxoquinoline-3-carboxylic acid is COc1ccc(C)c2c(=O)c(C(=O)O)cn(F)c12.
What is the InChIKey of 1-fluoro-8-methoxy-5-methyl-4-oxoquinoline-3-carboxylic acid?
The InChIKey is RTCPLZIBYLAVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO4/c1-6-3-4-8(18-2)10-9(6)11(15)7(12(16)17)5-14(10)13/h3-5H,1-2H3,(H,16,17).
What are the key properties of 1-fluoro-8-methoxy-5-methyl-4-oxoquinoline-3-carboxylic acid?
1-fluoro-8-methoxy-5-methyl-4-oxoquinoline-3-carboxylic acid has a molecular weight of 251.21 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-8-methoxy-5-methyl-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 91116192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).