1-cyclobutyl-6-fluoro-4-oxo-7-[(2R)-2-(pyridin-2-yloxymethyl)pyrrolidin-1-yl]quinoline-3-carboxylic acid

C24H24FN3O4 — CID 156848618

IUPAC1-cyclobutyl-6-fluoro-4-oxo-7-[(2R)-2-(pyridin-2-yloxymethyl)pyrrolidin-1-yl]quinoline-3-carboxylic acid
SMILESO=C(O)c1cn(C2CCC2)c2cc(N3CCC[C@@H]3COc3ccccn3)c(F)cc2c1=O
InChIInChI=1S/C24H24FN3O4/c25-19-11-17-20(28(15-5-3-6-15)13-18(23(17)29)24(30)31)12-21(19)27-10-4-7-16(27)14-32-22-8-1-2-9-26-22/h1-2,8-9,11-13,15-16H,3-7,10,14H2,(H,30,31)/t16-/m1/s1
InChIKeyRMDYMYOPELENKF-MRXNPFEDSA-N
MW437.47 g/mol
LogP4.01
Rot. Bonds6

About 1-cyclobutyl-6-fluoro-4-oxo-7-[(2R)-2-(pyridin-2-yloxymethyl)pyrrolidin-1-yl]quinoline-3-carboxylic acid

1-cyclobutyl-6-fluoro-4-oxo-7-[(2R)-2-(pyridin-2-yloxymethyl)pyrrolidin-1-yl]quinoline-3-carboxylic acid (PubChem CID 156848618) has the molecular formula C24H24FN3O4 and a molecular weight of 437.47 g/mol. Its IUPAC name is 1-cyclobutyl-6-fluoro-4-oxo-7-[(2R)-2-(pyridin-2-yloxymethyl)pyrrolidin-1-yl]quinoline-3-carboxylic acid.

Molecular Properties

Compound Name1-cyclobutyl-6-fluoro-4-oxo-7-[(2R)-2-(pyridin-2-yloxymethyl)pyrrolidin-1-yl]quinoline-3-carboxylic acid
PubChem CID156848618
Molecular FormulaC24H24FN3O4
Molecular Weight437.47 g/mol
Exact Mass437.18
IUPAC Name1-cyclobutyl-6-fluoro-4-oxo-7-[(2R)-2-(pyridin-2-yloxymethyl)pyrrolidin-1-yl]quinoline-3-carboxylic acid
SMILESO=C(O)c1cn(C2CCC2)c2cc(N3CCC[C@@H]3COc3ccccn3)c(F)cc2c1=O
InChIInChI=1S/C24H24FN3O4/c25-19-11-17-20(28(15-5-3-6-15)13-18(23(17)29)24(30)31)12-21(19)27-10-4-7-16(27)14-32-22-8-1-2-9-26-22/h1-2,8-9,11-13,15-16H,3-7,10,14H2,(H,30,31)/t16-/m1/s1
InChIKeyRMDYMYOPELENKF-MRXNPFEDSA-N
XLogP4.01
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.47
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-cyclobutyl-6-fluoro-4-oxo-7-[(2R)-2-(pyridin-2-yloxymethyl)pyrrolidin-1-yl]quinoline-3-carboxylic acid with MolForge

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Related Compounds

6-fluoro-1-(3-hydroxycyclobutyl)-4-oxo-7-[(2R)-2-(pyridin-2-yloxymethyl)pyrrolidin-1-yl]quinoline-3-carboxylic acid
CID 156848512
1-(3-chloro-4-hydroxyphenyl)-6-fluoro-4-oxo-7-[2-(pyridin-2-yloxymethyl)pyrrolidin-1-yl]quinoline-3-carboxylic acid
CID 156848092
6-fluoro-4-oxo-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-7-[(2R)-2-(pyridin-2-yloxymethyl)pyrrolidin-1-yl]quinoline-3-carboxylic acid
CID 156848242
6-fluoro-1-(3-methoxycyclobutyl)-7-[2-[(3-methyl-2-pyridinyl)oxymethyl]pyrrolidin-1-yl]-4-oxoquinoline-3-carboxylic acid
CID 175419106
ethyl 6-fluoro-7-[2-[(3-methyl-2-pyridinyl)oxymethyl]pyrrolidin-1-yl]-1-(oxan-4-yl)-4-oxoquinoline-3-carboxylate
CID 156848037
6-fluoro-7-[(2R)-2-[(3-methyl-2-pyridinyl)oxymethyl]pyrrolidin-1-yl]-4-oxo-1-pyrazin-2-ylquinoline-3-carboxylic acid
CID 156848048
7-[3-(aminomethyl)-3-pyridin-2-ylpyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 22236945
7-[4-benzyl-2-(cyanomethyl)piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 14947202
1-cyclopropyl-7-(2,4-dimethylpiperazin-1-yl)-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 70465872
1-cyclopropyl-6-fluoro-7-(2-hydroxypiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
CID 170455523
1-cyclobutyl-7-(cyclobutylamino)-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 3009588
7-[3-[3-(aminomethyl)-2-pyridinyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 15288443

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-6-fluoro-4-oxo-7-[(2R)-2-(pyridin-2-yloxymethyl)pyrrolidin-1-yl]quinoline-3-carboxylic acid?
The IUPAC name of 1-cyclobutyl-6-fluoro-4-oxo-7-[(2R)-2-(pyridin-2-yloxymethyl)pyrrolidin-1-yl]quinoline-3-carboxylic acid (CID 156848618) is 1-cyclobutyl-6-fluoro-4-oxo-7-[(2R)-2-(pyridin-2-yloxymethyl)pyrrolidin-1-yl]quinoline-3-carboxylic acid.
What is the SMILES notation for 1-cyclobutyl-6-fluoro-4-oxo-7-[(2R)-2-(pyridin-2-yloxymethyl)pyrrolidin-1-yl]quinoline-3-carboxylic acid?
The canonical SMILES for 1-cyclobutyl-6-fluoro-4-oxo-7-[(2R)-2-(pyridin-2-yloxymethyl)pyrrolidin-1-yl]quinoline-3-carboxylic acid is O=C(O)c1cn(C2CCC2)c2cc(N3CCC[C@@H]3COc3ccccn3)c(F)cc2c1=O.
What is the InChIKey of 1-cyclobutyl-6-fluoro-4-oxo-7-[(2R)-2-(pyridin-2-yloxymethyl)pyrrolidin-1-yl]quinoline-3-carboxylic acid?
The InChIKey is RMDYMYOPELENKF-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H24FN3O4/c25-19-11-17-20(28(15-5-3-6-15)13-18(23(17)29)24(30)31)12-21(19)27-10-4-7-16(27)14-32-22-8-1-2-9-26-22/h1-2,8-9,11-13,15-16H,3-7,10,14H2,(H,30,31)/t16-/m1/s1.
What are the key properties of 1-cyclobutyl-6-fluoro-4-oxo-7-[(2R)-2-(pyridin-2-yloxymethyl)pyrrolidin-1-yl]quinoline-3-carboxylic acid?
1-cyclobutyl-6-fluoro-4-oxo-7-[(2R)-2-(pyridin-2-yloxymethyl)pyrrolidin-1-yl]quinoline-3-carboxylic acid has a molecular weight of 437.47 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-6-fluoro-4-oxo-7-[(2R)-2-(pyridin-2-yloxymethyl)pyrrolidin-1-yl]quinoline-3-carboxylic acid is sourced from PubChem (CID 156848618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).