6-chloro-1-cyclopropyl-4-oxo-7-(trifluoromethoxy)quinoline-3-carboxylic acid

C14H9ClF3NO4 — CID 154631856

IUPAC6-chloro-1-cyclopropyl-4-oxo-7-(trifluoromethoxy)quinoline-3-carboxylic acid
SMILESO=C(O)c1cn(C2CC2)c2cc(OC(F)(F)F)c(Cl)cc2c1=O
InChIInChI=1S/C14H9ClF3NO4/c15-9-3-7-10(4-11(9)23-14(16,17)18)19(6-1-2-6)5-8(12(7)20)13(21)22/h3-6H,1-2H2,(H,21,22)
InChIKeyVXVJMWMKELKCEG-UHFFFAOYSA-N
MW347.68 g/mol
LogP3.59
Rot. Bonds3

About 6-chloro-1-cyclopropyl-4-oxo-7-(trifluoromethoxy)quinoline-3-carboxylic acid

6-chloro-1-cyclopropyl-4-oxo-7-(trifluoromethoxy)quinoline-3-carboxylic acid (PubChem CID 154631856) has the molecular formula C14H9ClF3NO4 and a molecular weight of 347.68 g/mol. Its IUPAC name is 6-chloro-1-cyclopropyl-4-oxo-7-(trifluoromethoxy)quinoline-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-1-cyclopropyl-4-oxo-7-(trifluoromethoxy)quinoline-3-carboxylic acid
PubChem CID154631856
Molecular FormulaC14H9ClF3NO4
Molecular Weight347.68 g/mol
Exact Mass347.02
IUPAC Name6-chloro-1-cyclopropyl-4-oxo-7-(trifluoromethoxy)quinoline-3-carboxylic acid
SMILESO=C(O)c1cn(C2CC2)c2cc(OC(F)(F)F)c(Cl)cc2c1=O
InChIInChI=1S/C14H9ClF3NO4/c15-9-3-7-10(4-11(9)23-14(16,17)18)19(6-1-2-6)5-8(12(7)20)13(21)22/h3-6H,1-2H2,(H,21,22)
InChIKeyVXVJMWMKELKCEG-UHFFFAOYSA-N
XLogP3.59
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.68
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6,7-dichloro-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid
CID 13385164
6-chloro-1-cyclopropyl-7-fluoro-4-oxoquinoline-3-carboxylic acid
CID 22277610
7-amino-6-chloro-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid
CID 70462339
6-chloro-1-cyclopropyl-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid
CID 13337925
1-cyclopropyl-7-ethoxy-6-fluoro-4-oxoquinoline-3-carboxylic acid;hydrochloride
CID 175055513
1-cyclopropyl-6-fluoro-7-(3-hydroxycyclobutyl)-4-oxoquinoline-3-carboxylic acid
CID 10313725
7-chloro-1-cyclopropyl-4-oxo-6-piperazin-1-ylquinoline-3-carboxylic acid;hydrochloride
CID 131667367
(3-acetyl-1-cyclopropyl-6-fluoro-4-oxoquinolin-7-yl) trifluoromethanesulfonate
CID 20619484
7-chloro-1-cyclopropyl-6-[2-(2-hydroxyethoxy)ethylamino]-4-oxoquinoline-3-carboxylic acid
CID 53376047
2-[(3-carboxy-7-chloro-1-cyclopropyl-4-oxoquinolin-6-yl)amino]ethylazanium chloride
CID 66524263
1-cyclopropyl-6-fluoro-7-(1-hydroxycyclopropyl)-4-oxoquinoline-3-carboxylic acid
CID 139714093
1-cyclopropyl-6-fluoro-4-oxo-7-[4-[[4-(trifluoromethoxy)benzoyl]amino]piperazin-1-yl]quinoline-3-carboxylic acid
CID 166594956

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-cyclopropyl-4-oxo-7-(trifluoromethoxy)quinoline-3-carboxylic acid?
The IUPAC name of 6-chloro-1-cyclopropyl-4-oxo-7-(trifluoromethoxy)quinoline-3-carboxylic acid (CID 154631856) is 6-chloro-1-cyclopropyl-4-oxo-7-(trifluoromethoxy)quinoline-3-carboxylic acid.
What is the SMILES notation for 6-chloro-1-cyclopropyl-4-oxo-7-(trifluoromethoxy)quinoline-3-carboxylic acid?
The canonical SMILES for 6-chloro-1-cyclopropyl-4-oxo-7-(trifluoromethoxy)quinoline-3-carboxylic acid is O=C(O)c1cn(C2CC2)c2cc(OC(F)(F)F)c(Cl)cc2c1=O.
What is the InChIKey of 6-chloro-1-cyclopropyl-4-oxo-7-(trifluoromethoxy)quinoline-3-carboxylic acid?
The InChIKey is VXVJMWMKELKCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF3NO4/c15-9-3-7-10(4-11(9)23-14(16,17)18)19(6-1-2-6)5-8(12(7)20)13(21)22/h3-6H,1-2H2,(H,21,22).
What are the key properties of 6-chloro-1-cyclopropyl-4-oxo-7-(trifluoromethoxy)quinoline-3-carboxylic acid?
6-chloro-1-cyclopropyl-4-oxo-7-(trifluoromethoxy)quinoline-3-carboxylic acid has a molecular weight of 347.68 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-cyclopropyl-4-oxo-7-(trifluoromethoxy)quinoline-3-carboxylic acid is sourced from PubChem (CID 154631856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).