7-(2-amino-4-pyridinyl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid

C18H14FN3O3 — CID 174358365

IUPAC7-(2-amino-4-pyridinyl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
SMILESNc1cc(-c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)ccn1
InChIInChI=1S/C18H14FN3O3/c19-14-6-12-15(7-11(14)9-3-4-21-16(20)5-9)22(10-1-2-10)8-13(17(12)23)18(24)25/h3-8,10H,1-2H2,(H2,20,21)(H,24,25)
InChIKeyZTFDQONXZDGAIR-UHFFFAOYSA-N
MW339.33 g/mol
LogP2.82
Rot. Bonds3

About 7-(2-amino-4-pyridinyl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid

7-(2-amino-4-pyridinyl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid (PubChem CID 174358365) has the molecular formula C18H14FN3O3 and a molecular weight of 339.33 g/mol. Its IUPAC name is 7-(2-amino-4-pyridinyl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name7-(2-amino-4-pyridinyl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
PubChem CID174358365
Molecular FormulaC18H14FN3O3
Molecular Weight339.33 g/mol
Exact Mass339.10
IUPAC Name7-(2-amino-4-pyridinyl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
SMILESNc1cc(-c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)ccn1
InChIInChI=1S/C18H14FN3O3/c19-14-6-12-15(7-11(14)9-3-4-21-16(20)5-9)22(10-1-2-10)8-13(17(12)23)18(24)25/h3-8,10H,1-2H2,(H2,20,21)(H,24,25)
InChIKeyZTFDQONXZDGAIR-UHFFFAOYSA-N
XLogP2.82
TPSA98.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.33
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7-[2-(aminomethyl)-6-methyl-4-pyridinyl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 15030325
1-cyclopropyl-6-fluoro-4-oxo-7-[6-(propylsulfanylamino)-3-pyridinyl]quinoline-3-carboxylic acid
CID 174358097
6-chloro-1-cyclopropyl-7-fluoro-4-oxoquinoline-3-carboxylic acid
CID 22277610
1-cyclopropyl-6-fluoro-7-[6-(heptylsulfamoyl)-3-pyridinyl]-4-oxoquinoline-3-carboxylic acid
CID 174359039
7-(3-aminoprop-1-ynyl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 139622136
1-cyclopropyl-7-[4-(4,6-diamino-1,3,5-triazin-2-yl)piperazin-1-yl]-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 44590310
1-cyclopropyl-7-[1-[(2,4-diamino-6-ethylpyrimidin-5-yl)methyl]-2,3-dihydroindol-5-yl]-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 163290186
1-cyclopropyl-6-fluoro-7-(3-hydroxycyclobutyl)-4-oxoquinoline-3-carboxylic acid
CID 10313725
1-cyclopropyl-6-fluoro-7-(1-hydroxycyclopropyl)-4-oxoquinoline-3-carboxylic acid
CID 139714093
1-cyclopropyl-7-ethoxy-6-fluoro-4-oxoquinoline-3-carboxylic acid;hydrochloride
CID 175055513
1-cyclobutyl-7-(cyclobutylamino)-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 3009588
7-amino-6-chloro-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid
CID 70462339

Frequently Asked Questions

What is the IUPAC name of 7-(2-amino-4-pyridinyl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 7-(2-amino-4-pyridinyl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid (CID 174358365) is 7-(2-amino-4-pyridinyl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 7-(2-amino-4-pyridinyl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 7-(2-amino-4-pyridinyl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid is Nc1cc(-c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)ccn1.
What is the InChIKey of 7-(2-amino-4-pyridinyl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid?
The InChIKey is ZTFDQONXZDGAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O3/c19-14-6-12-15(7-11(14)9-3-4-21-16(20)5-9)22(10-1-2-10)8-13(17(12)23)18(24)25/h3-8,10H,1-2H2,(H2,20,21)(H,24,25).
What are the key properties of 7-(2-amino-4-pyridinyl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid?
7-(2-amino-4-pyridinyl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid has a molecular weight of 339.33 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-amino-4-pyridinyl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 174358365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).