7-fluoro-1-[(1R,2R)-2-fluorocyclopropyl]-5-hydroxy-8-methyl-4-oxoquinoline-3-carboxylic acid

C14H11F2NO4 — CID 67271541

IUPAC7-fluoro-1-[(1R,2R)-2-fluorocyclopropyl]-5-hydroxy-8-methyl-4-oxoquinoline-3-carboxylic acid
SMILESCc1c(F)cc(O)c2c(=O)c(C(=O)O)cn([C@@H]3C[C@H]3F)c12
InChIInChI=1S/C14H11F2NO4/c1-5-7(15)3-10(18)11-12(5)17(9-2-8(9)16)4-6(13(11)19)14(20)21/h3-4,8-9,18H,2H2,1H3,(H,20,21)/t8-,9-/m1/s1
InChIKeyRSUWEHRAQIHOBK-RKDXNWHRSA-N
MW295.24 g/mol
LogP2.14
Rot. Bonds2

About 7-fluoro-1-[(1R,2R)-2-fluorocyclopropyl]-5-hydroxy-8-methyl-4-oxoquinoline-3-carboxylic acid

7-fluoro-1-[(1R,2R)-2-fluorocyclopropyl]-5-hydroxy-8-methyl-4-oxoquinoline-3-carboxylic acid (PubChem CID 67271541) has the molecular formula C14H11F2NO4 and a molecular weight of 295.24 g/mol. Its IUPAC name is 7-fluoro-1-[(1R,2R)-2-fluorocyclopropyl]-5-hydroxy-8-methyl-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name7-fluoro-1-[(1R,2R)-2-fluorocyclopropyl]-5-hydroxy-8-methyl-4-oxoquinoline-3-carboxylic acid
PubChem CID67271541
Molecular FormulaC14H11F2NO4
Molecular Weight295.24 g/mol
Exact Mass295.07
IUPAC Name7-fluoro-1-[(1R,2R)-2-fluorocyclopropyl]-5-hydroxy-8-methyl-4-oxoquinoline-3-carboxylic acid
SMILESCc1c(F)cc(O)c2c(=O)c(C(=O)O)cn([C@@H]3C[C@H]3F)c12
InChIInChI=1S/C14H11F2NO4/c1-5-7(15)3-10(18)11-12(5)17(9-2-8(9)16)4-6(13(11)19)14(20)21/h3-4,8-9,18H,2H2,1H3,(H,20,21)/t8-,9-/m1/s1
InChIKeyRSUWEHRAQIHOBK-RKDXNWHRSA-N
XLogP2.14
TPSA79.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.24
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 7-fluoro-1-[(1R,2R)-2-fluorocyclopropyl]-5-hydroxy-8-methyl-4-oxoquinoline-3-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

ethyl 7-fluoro-1-(2-fluorocyclopropyl)-5-hydroxy-8-methyl-4-oxoquinoline-3-carboxylate
CID 77257437
7-fluoro-1-[(1S,2R)-2-fluorocyclopropyl]-8-methyl-4-oxoquinoline-3-carboxylic acid
CID 174404376
7-fluoro-1-(2-fluorocyclopropyl)-8-methoxy-4-oxoquinoline-3-carboxylic acid
CID 23507775
8-chloro-6-fluoro-1-[(1S,2R)-2-fluorocyclopropyl]-4-oxoquinoline-3-carboxylic acid
CID 142660303
8-chloro-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-4-oxoquinoline-3-carboxylic acid
CID 22866889
6,7-difluoro-1-[(1R,2S)-2-fluorocyclopropyl]-4-oxo-8-(trifluoromethyl)quinoline-3-carboxylic acid
CID 18664094
5-amino-7-[3-(1-amino-3-fluorocyclobutyl)pyrrolidin-1-yl]-6-fluoro-1-[(1R,2R)-2-fluorocyclopropyl]-8-methyl-4-oxoquinoline-3-carboxylic acid
CID 69364037
5-amino-7-[3-(1-amino-3-fluorocyclobutyl)pyrrolidin-1-yl]-6-fluoro-1-(2-fluorocyclopropyl)-8-methyl-4-oxoquinoline-3-carboxylic acid
CID 18427798
5-amino-6-fluoro-1-[(1R,2R)-2-fluorocyclopropyl]-8-methyl-7-[3-[1-(methylamino)cyclopropyl]pyrrolidin-1-yl]-4-oxoquinoline-3-carboxylic acid
CID 69138245
7-(7-amino-5-azaspiro[2.4]heptan-5-yl)-6,8-difluoro-1-[(1R,2S)-2-fluorocyclopropyl]-5-methyl-4-oxoquinoline-3-carboxylic acid
CID 70250928
5-amino-7-(3-amino-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl)-6-fluoro-1-(2-fluorocyclopropyl)-8-methyl-4-oxoquinoline-3-carboxylic acid
CID 139791902
7-(8-amino-8-methyl-6-azaspiro[3.4]octan-5-yl)-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methyl-4-oxoquinoline-3-carboxylic acid
CID 15604333

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1-[(1R,2R)-2-fluorocyclopropyl]-5-hydroxy-8-methyl-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 7-fluoro-1-[(1R,2R)-2-fluorocyclopropyl]-5-hydroxy-8-methyl-4-oxoquinoline-3-carboxylic acid (CID 67271541) is 7-fluoro-1-[(1R,2R)-2-fluorocyclopropyl]-5-hydroxy-8-methyl-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 7-fluoro-1-[(1R,2R)-2-fluorocyclopropyl]-5-hydroxy-8-methyl-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 7-fluoro-1-[(1R,2R)-2-fluorocyclopropyl]-5-hydroxy-8-methyl-4-oxoquinoline-3-carboxylic acid is Cc1c(F)cc(O)c2c(=O)c(C(=O)O)cn([C@@H]3C[C@H]3F)c12.
What is the InChIKey of 7-fluoro-1-[(1R,2R)-2-fluorocyclopropyl]-5-hydroxy-8-methyl-4-oxoquinoline-3-carboxylic acid?
The InChIKey is RSUWEHRAQIHOBK-RKDXNWHRSA-N. The full InChI is InChI=1S/C14H11F2NO4/c1-5-7(15)3-10(18)11-12(5)17(9-2-8(9)16)4-6(13(11)19)14(20)21/h3-4,8-9,18H,2H2,1H3,(H,20,21)/t8-,9-/m1/s1.
What are the key properties of 7-fluoro-1-[(1R,2R)-2-fluorocyclopropyl]-5-hydroxy-8-methyl-4-oxoquinoline-3-carboxylic acid?
7-fluoro-1-[(1R,2R)-2-fluorocyclopropyl]-5-hydroxy-8-methyl-4-oxoquinoline-3-carboxylic acid has a molecular weight of 295.24 g/mol, XLogP of 2.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1-[(1R,2R)-2-fluorocyclopropyl]-5-hydroxy-8-methyl-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 67271541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).