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

C24H24FN3O5 — CID 156848512

IUPAC6-fluoro-1-(3-hydroxycyclobutyl)-4-oxo-7-[(2R)-2-(pyridin-2-yloxymethyl)pyrrolidin-1-yl]quinoline-3-carboxylic acid
SMILESO=C(O)c1cn(C2CC(O)C2)c2cc(N3CCC[C@@H]3COc3ccccn3)c(F)cc2c1=O
InChIInChI=1S/C24H24FN3O5/c25-19-10-17-20(28(15-8-16(29)9-15)12-18(23(17)30)24(31)32)11-21(19)27-7-3-4-14(27)13-33-22-5-1-2-6-26-22/h1-2,5-6,10-12,14-16,29H,3-4,7-9,13H2,(H,31,32)/t14-,15?,16?/m1/s1
InChIKeyRVRZEVMPOBISMD-QQFBHYJXSA-N
MW453.47 g/mol
LogP2.98
Rot. Bonds6

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

6-fluoro-1-(3-hydroxycyclobutyl)-4-oxo-7-[(2R)-2-(pyridin-2-yloxymethyl)pyrrolidin-1-yl]quinoline-3-carboxylic acid (PubChem CID 156848512) has the molecular formula C24H24FN3O5 and a molecular weight of 453.47 g/mol. Its IUPAC name is 6-fluoro-1-(3-hydroxycyclobutyl)-4-oxo-7-[(2R)-2-(pyridin-2-yloxymethyl)pyrrolidin-1-yl]quinoline-3-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-1-(3-hydroxycyclobutyl)-4-oxo-7-[(2R)-2-(pyridin-2-yloxymethyl)pyrrolidin-1-yl]quinoline-3-carboxylic acid
PubChem CID156848512
Molecular FormulaC24H24FN3O5
Molecular Weight453.47 g/mol
Exact Mass453.17
IUPAC Name6-fluoro-1-(3-hydroxycyclobutyl)-4-oxo-7-[(2R)-2-(pyridin-2-yloxymethyl)pyrrolidin-1-yl]quinoline-3-carboxylic acid
SMILESO=C(O)c1cn(C2CC(O)C2)c2cc(N3CCC[C@@H]3COc3ccccn3)c(F)cc2c1=O
InChIInChI=1S/C24H24FN3O5/c25-19-10-17-20(28(15-8-16(29)9-15)12-18(23(17)30)24(31)32)11-21(19)27-7-3-4-14(27)13-33-22-5-1-2-6-26-22/h1-2,5-6,10-12,14-16,29H,3-4,7-9,13H2,(H,31,32)/t14-,15?,16?/m1/s1
InChIKeyRVRZEVMPOBISMD-QQFBHYJXSA-N
XLogP2.98
TPSA104.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.47
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclobutyl-6-fluoro-4-oxo-7-[(2R)-2-(pyridin-2-yloxymethyl)pyrrolidin-1-yl]quinoline-3-carboxylic acid
CID 156848618
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-[(2R)-2-[[(3-chloro-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-6-fluoro-1-(4-hydroxyphenyl)-4-oxoquinoline-3-carboxylic acid
CID 167527168
1-cyclopropyl-6-fluoro-7-(2-hydroxypiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
CID 170455523
1-cyclopropyl-6-fluoro-7-[(2R,3S)-3-hydroxy-2-methylazetidin-1-yl]-4-oxoquinoline-3-carboxylic acid
CID 10426868
7-[4-benzyl-2-(cyanomethyl)piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 14947202
1-cyclopropyl-6-fluoro-7-(3-hydroxycyclobutyl)-4-oxoquinoline-3-carboxylic acid
CID 10313725

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-(3-hydroxycyclobutyl)-4-oxo-7-[(2R)-2-(pyridin-2-yloxymethyl)pyrrolidin-1-yl]quinoline-3-carboxylic acid?
The IUPAC name of 6-fluoro-1-(3-hydroxycyclobutyl)-4-oxo-7-[(2R)-2-(pyridin-2-yloxymethyl)pyrrolidin-1-yl]quinoline-3-carboxylic acid (CID 156848512) is 6-fluoro-1-(3-hydroxycyclobutyl)-4-oxo-7-[(2R)-2-(pyridin-2-yloxymethyl)pyrrolidin-1-yl]quinoline-3-carboxylic acid.
What is the SMILES notation for 6-fluoro-1-(3-hydroxycyclobutyl)-4-oxo-7-[(2R)-2-(pyridin-2-yloxymethyl)pyrrolidin-1-yl]quinoline-3-carboxylic acid?
The canonical SMILES for 6-fluoro-1-(3-hydroxycyclobutyl)-4-oxo-7-[(2R)-2-(pyridin-2-yloxymethyl)pyrrolidin-1-yl]quinoline-3-carboxylic acid is O=C(O)c1cn(C2CC(O)C2)c2cc(N3CCC[C@@H]3COc3ccccn3)c(F)cc2c1=O.
What is the InChIKey of 6-fluoro-1-(3-hydroxycyclobutyl)-4-oxo-7-[(2R)-2-(pyridin-2-yloxymethyl)pyrrolidin-1-yl]quinoline-3-carboxylic acid?
The InChIKey is RVRZEVMPOBISMD-QQFBHYJXSA-N. The full InChI is InChI=1S/C24H24FN3O5/c25-19-10-17-20(28(15-8-16(29)9-15)12-18(23(17)30)24(31)32)11-21(19)27-7-3-4-14(27)13-33-22-5-1-2-6-26-22/h1-2,5-6,10-12,14-16,29H,3-4,7-9,13H2,(H,31,32)/t14-,15?,16?/m1/s1.
What are the key properties of 6-fluoro-1-(3-hydroxycyclobutyl)-4-oxo-7-[(2R)-2-(pyridin-2-yloxymethyl)pyrrolidin-1-yl]quinoline-3-carboxylic acid?
6-fluoro-1-(3-hydroxycyclobutyl)-4-oxo-7-[(2R)-2-(pyridin-2-yloxymethyl)pyrrolidin-1-yl]quinoline-3-carboxylic acid has a molecular weight of 453.47 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-(3-hydroxycyclobutyl)-4-oxo-7-[(2R)-2-(pyridin-2-yloxymethyl)pyrrolidin-1-yl]quinoline-3-carboxylic acid is sourced from PubChem (CID 156848512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).