1-cyclopropyl-6-fluoro-7-[2-(2-hydroxyethyl)pyrrolidin-1-yl]-8-(hydroxymethyl)-4-oxoquinoline-3-carboxylic acid

C20H23FN2O5 — CID 67061169

IUPAC1-cyclopropyl-6-fluoro-7-[2-(2-hydroxyethyl)pyrrolidin-1-yl]-8-(hydroxymethyl)-4-oxoquinoline-3-carboxylic acid
SMILESO=C(O)c1cn(C2CC2)c2c(CO)c(N3CCCC3CCO)c(F)cc2c1=O
InChIInChI=1S/C20H23FN2O5/c21-16-8-13-17(23(12-3-4-12)9-14(19(13)26)20(27)28)15(10-25)18(16)22-6-1-2-11(22)5-7-24/h8-9,11-12,24-25H,1-7,10H2,(H,27,28)
InChIKeyPUSGOMVHBAXCJZ-UHFFFAOYSA-N
MW390.41 g/mol
LogP2.02
Rot. Bonds6

About 1-cyclopropyl-6-fluoro-7-[2-(2-hydroxyethyl)pyrrolidin-1-yl]-8-(hydroxymethyl)-4-oxoquinoline-3-carboxylic acid

1-cyclopropyl-6-fluoro-7-[2-(2-hydroxyethyl)pyrrolidin-1-yl]-8-(hydroxymethyl)-4-oxoquinoline-3-carboxylic acid (PubChem CID 67061169) has the molecular formula C20H23FN2O5 and a molecular weight of 390.41 g/mol. Its IUPAC name is 1-cyclopropyl-6-fluoro-7-[2-(2-hydroxyethyl)pyrrolidin-1-yl]-8-(hydroxymethyl)-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name1-cyclopropyl-6-fluoro-7-[2-(2-hydroxyethyl)pyrrolidin-1-yl]-8-(hydroxymethyl)-4-oxoquinoline-3-carboxylic acid
PubChem CID67061169
Molecular FormulaC20H23FN2O5
Molecular Weight390.41 g/mol
Exact Mass390.16
IUPAC Name1-cyclopropyl-6-fluoro-7-[2-(2-hydroxyethyl)pyrrolidin-1-yl]-8-(hydroxymethyl)-4-oxoquinoline-3-carboxylic acid
SMILESO=C(O)c1cn(C2CC2)c2c(CO)c(N3CCCC3CCO)c(F)cc2c1=O
InChIInChI=1S/C20H23FN2O5/c21-16-8-13-17(23(12-3-4-12)9-14(19(13)26)20(27)28)15(10-25)18(16)22-6-1-2-11(22)5-7-24/h8-9,11-12,24-25H,1-7,10H2,(H,27,28)
InChIKeyPUSGOMVHBAXCJZ-UHFFFAOYSA-N
XLogP2.02
TPSA103.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-cyclopropyl-6-fluoro-7-[2-(2-hydroxyethyl)pyrrolidin-1-yl]-8-(hydroxymethyl)-4-oxoquinoline-3-carboxylic acid with MolForge

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Related Compounds

1-cyclopropyl-6,8-difluoro-7-[2-(hydroxymethyl)-4-methylpiperazin-1-yl]-4-oxoquinoline-3-carboxylic acid
CID 22154683
1-cyclopropyl-6-fluoro-4-oxo-8-propyl-7-pyrrolidin-1-ylquinoline-3-carboxylic acid
CID 143890841
7-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 143715301
1-cyclopropyl-8-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
CID 15622526
6-amino-12-cyclopropyl-18-fluoro-15-oxo-9-thia-2,12-diazatetracyclo[8.8.0.02,7.011,16]octadeca-1(18),10,13,16-tetraene-14-carboxylic acid
CID 75602963
1-cyclopropyl-6-fluoro-7-(3-hydroxypyrrolidin-1-yl)-4-oxo-8-propylquinoline-3-carboxylic acid
CID 143890855
1-cyclopropyl-6,8-difluoro-7-hydroxy-4-oxoquinoline-3-carboxylic acid
CID 15636877
1-cyclopropyl-7-[(2S,3S)-2-ethyl-3-hydroxyazetidin-1-yl]-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 10090157
1-cyclopropyl-7-(3-ethyl-3-hydroxyazetidin-1-yl)-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 10067318
7-[(3aR,4S,7aS)-4-amino-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 14988966
7-[2-(aminomethoxy)piperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid
CID 22474802
7-(2-amino-2-oxoethyl)-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 14422912

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-6-fluoro-7-[2-(2-hydroxyethyl)pyrrolidin-1-yl]-8-(hydroxymethyl)-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 1-cyclopropyl-6-fluoro-7-[2-(2-hydroxyethyl)pyrrolidin-1-yl]-8-(hydroxymethyl)-4-oxoquinoline-3-carboxylic acid (CID 67061169) is 1-cyclopropyl-6-fluoro-7-[2-(2-hydroxyethyl)pyrrolidin-1-yl]-8-(hydroxymethyl)-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 1-cyclopropyl-6-fluoro-7-[2-(2-hydroxyethyl)pyrrolidin-1-yl]-8-(hydroxymethyl)-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 1-cyclopropyl-6-fluoro-7-[2-(2-hydroxyethyl)pyrrolidin-1-yl]-8-(hydroxymethyl)-4-oxoquinoline-3-carboxylic acid is O=C(O)c1cn(C2CC2)c2c(CO)c(N3CCCC3CCO)c(F)cc2c1=O.
What is the InChIKey of 1-cyclopropyl-6-fluoro-7-[2-(2-hydroxyethyl)pyrrolidin-1-yl]-8-(hydroxymethyl)-4-oxoquinoline-3-carboxylic acid?
The InChIKey is PUSGOMVHBAXCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O5/c21-16-8-13-17(23(12-3-4-12)9-14(19(13)26)20(27)28)15(10-25)18(16)22-6-1-2-11(22)5-7-24/h8-9,11-12,24-25H,1-7,10H2,(H,27,28).
What are the key properties of 1-cyclopropyl-6-fluoro-7-[2-(2-hydroxyethyl)pyrrolidin-1-yl]-8-(hydroxymethyl)-4-oxoquinoline-3-carboxylic acid?
1-cyclopropyl-6-fluoro-7-[2-(2-hydroxyethyl)pyrrolidin-1-yl]-8-(hydroxymethyl)-4-oxoquinoline-3-carboxylic acid has a molecular weight of 390.41 g/mol, XLogP of 2.02, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-6-fluoro-7-[2-(2-hydroxyethyl)pyrrolidin-1-yl]-8-(hydroxymethyl)-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 67061169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).