2-chloro-6-fluoro-1-(methylamino)-4-oxoquinoline-3-carboxylic acid

C11H8ClFN2O3 — CID 151755048

IUPAC2-chloro-6-fluoro-1-(methylamino)-4-oxoquinoline-3-carboxylic acid
SMILESCNn1c(Cl)c(C(=O)O)c(=O)c2cc(F)ccc21
InChIInChI=1S/C11H8ClFN2O3/c1-14-15-7-3-2-5(13)4-6(7)9(16)8(10(15)12)11(17)18/h2-4,14H,1H3,(H,17,18)
InChIKeyRPIZBWFRJCFSTC-UHFFFAOYSA-N
MW270.65 g/mol
LogP1.67
Rot. Bonds2

About 2-chloro-6-fluoro-1-(methylamino)-4-oxoquinoline-3-carboxylic acid

2-chloro-6-fluoro-1-(methylamino)-4-oxoquinoline-3-carboxylic acid (PubChem CID 151755048) has the molecular formula C11H8ClFN2O3 and a molecular weight of 270.65 g/mol. Its IUPAC name is 2-chloro-6-fluoro-1-(methylamino)-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name2-chloro-6-fluoro-1-(methylamino)-4-oxoquinoline-3-carboxylic acid
PubChem CID151755048
Molecular FormulaC11H8ClFN2O3
Molecular Weight270.65 g/mol
Exact Mass270.02
IUPAC Name2-chloro-6-fluoro-1-(methylamino)-4-oxoquinoline-3-carboxylic acid
SMILESCNn1c(Cl)c(C(=O)O)c(=O)c2cc(F)ccc21
InChIInChI=1S/C11H8ClFN2O3/c1-14-15-7-3-2-5(13)4-6(7)9(16)8(10(15)12)11(17)18/h2-4,14H,1H3,(H,17,18)
InChIKeyRPIZBWFRJCFSTC-UHFFFAOYSA-N
XLogP1.67
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.65
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-5-fluoro-1-propylindole-3-carboxylic acid
CID 82268779
2-chloro-5-fluoro-1-(2-methylpropyl)indole-3-carboxylic acid
CID 82268787
1-butyl-2-chloro-5-fluoroindole-3-carboxylic acid
CID 82268795
12-fluoro-9-oxo-6-thia-2-azatetracyclo[8.4.0.02,7.03,5]tetradeca-1(10),3(5),7,11,13-pentaene-8-carboxylic acid
CID 139771395
6-chloro-2-(3,5-difluorophenyl)-1-methyl-4-oxoquinoline-3-carboxylic acid
CID 162436443
1-(2-chloro-5-fluoro-1-methylindol-3-yl)ethanone
CID 82268767
6-fluoro-1-(4-methylphenyl)-4-oxo-2-piperazin-1-ylquinoline-3-carboxylic acid
CID 19783730
2-(2-chlorophenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid
CID 22481000
6-fluoro-1-(4-methoxyphenyl)-4-oxo-2-piperazin-1-ylquinoline-3-carboxylic acid
CID 19783731
2-chloro-5-fluoro-1-benzofuran-3-carboxylic acid
CID 83821470
6-fluoro-1-hydroxy-2-oxoquinoline-4-carboxylic acid
CID 70686270
3-(2,2-dichloroacetyl)-6-fluoro-4-hydroxy-1-methylquinolin-2-one
CID 110273241

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-1-(methylamino)-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 2-chloro-6-fluoro-1-(methylamino)-4-oxoquinoline-3-carboxylic acid (CID 151755048) is 2-chloro-6-fluoro-1-(methylamino)-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 2-chloro-6-fluoro-1-(methylamino)-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 2-chloro-6-fluoro-1-(methylamino)-4-oxoquinoline-3-carboxylic acid is CNn1c(Cl)c(C(=O)O)c(=O)c2cc(F)ccc21.
What is the InChIKey of 2-chloro-6-fluoro-1-(methylamino)-4-oxoquinoline-3-carboxylic acid?
The InChIKey is RPIZBWFRJCFSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN2O3/c1-14-15-7-3-2-5(13)4-6(7)9(16)8(10(15)12)11(17)18/h2-4,14H,1H3,(H,17,18).
What are the key properties of 2-chloro-6-fluoro-1-(methylamino)-4-oxoquinoline-3-carboxylic acid?
2-chloro-6-fluoro-1-(methylamino)-4-oxoquinoline-3-carboxylic acid has a molecular weight of 270.65 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-1-(methylamino)-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 151755048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).