1-cyclopropyl-7-[3-(ethylaminomethyl)-2-methylazetidin-1-yl]-6-fluoro-4-oxoquinoline-3-carboxylic acid

C20H24FN3O3 — CID 15067890

IUPAC1-cyclopropyl-7-[3-(ethylaminomethyl)-2-methylazetidin-1-yl]-6-fluoro-4-oxoquinoline-3-carboxylic acid
SMILESCCNCC1CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C1C
InChIInChI=1S/C20H24FN3O3/c1-3-22-8-12-9-23(11(12)2)18-7-17-14(6-16(18)21)19(25)15(20(26)27)10-24(17)13-4-5-13/h6-7,10-13,22H,3-5,8-9H2,1-2H3,(H,26,27)
InChIKeyJTQLMUFIPBXBCB-UHFFFAOYSA-N
MW373.43 g/mol
LogP2.61
Rot. Bonds6

About 1-cyclopropyl-7-[3-(ethylaminomethyl)-2-methylazetidin-1-yl]-6-fluoro-4-oxoquinoline-3-carboxylic acid

1-cyclopropyl-7-[3-(ethylaminomethyl)-2-methylazetidin-1-yl]-6-fluoro-4-oxoquinoline-3-carboxylic acid (PubChem CID 15067890) has the molecular formula C20H24FN3O3 and a molecular weight of 373.43 g/mol. Its IUPAC name is 1-cyclopropyl-7-[3-(ethylaminomethyl)-2-methylazetidin-1-yl]-6-fluoro-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name1-cyclopropyl-7-[3-(ethylaminomethyl)-2-methylazetidin-1-yl]-6-fluoro-4-oxoquinoline-3-carboxylic acid
PubChem CID15067890
Molecular FormulaC20H24FN3O3
Molecular Weight373.43 g/mol
Exact Mass373.18
IUPAC Name1-cyclopropyl-7-[3-(ethylaminomethyl)-2-methylazetidin-1-yl]-6-fluoro-4-oxoquinoline-3-carboxylic acid
SMILESCCNCC1CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C1C
InChIInChI=1S/C20H24FN3O3/c1-3-22-8-12-9-23(11(12)2)18-7-17-14(6-16(18)21)19(25)15(20(26)27)10-24(17)13-4-5-13/h6-7,10-13,22H,3-5,8-9H2,1-2H3,(H,26,27)
InChIKeyJTQLMUFIPBXBCB-UHFFFAOYSA-N
XLogP2.61
TPSA74.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-cyclopropyl-7-[3-(ethylaminomethyl)-2-methylazetidin-1-yl]-6-fluoro-4-oxoquinoline-3-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

1-cyclopropyl-6-fluoro-7-[(2R,3S)-3-hydroxy-2-methylazetidin-1-yl]-4-oxoquinoline-3-carboxylic acid
CID 10426868
1-cyclopropyl-7-(2,4-dimethylpiperazin-1-yl)-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 70465872
1-cyclopropyl-6-fluoro-7-(3-methyl-4-propylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
CID 13326823
7-(6-amino-2-azabicyclo[2.2.2]octan-2-yl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 19878268
1-cyclopropyl-6-fluoro-7-(4-hydroxy-3,5-dimethylpiperidin-1-yl)-4-oxoquinoline-3-carboxylic acid
CID 10109937
1-cyclopropyl-6-fluoro-7-[(3R)-3-(methylamino)pyrrolidin-1-yl]-4-oxoquinoline-3-carboxylic acid
CID 91008490
1-cyclopropyl-6-fluoro-7-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-4-oxoquinoline-3-carboxylic acid;methanesulfonic acid
CID 11453793
copper;1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 118913911
1-cyclopropyl-6-fluoro-7-[3-(hydroxymethyl)azetidin-1-yl]-4-oxoquinoline-3-carboxylic acid
CID 15670687
1-cyclopropyl-6-fluoro-7-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-4-oxoquinoline-3-carboxylic acid;methanesulfonic acid;hydrate
CID 134822647
1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid;propanoic acid
CID 174787606
1-cyclopropyl-7-ethoxy-6-fluoro-4-oxoquinoline-3-carboxylic acid;hydrochloride
CID 175055513

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-7-[3-(ethylaminomethyl)-2-methylazetidin-1-yl]-6-fluoro-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 1-cyclopropyl-7-[3-(ethylaminomethyl)-2-methylazetidin-1-yl]-6-fluoro-4-oxoquinoline-3-carboxylic acid (CID 15067890) is 1-cyclopropyl-7-[3-(ethylaminomethyl)-2-methylazetidin-1-yl]-6-fluoro-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 1-cyclopropyl-7-[3-(ethylaminomethyl)-2-methylazetidin-1-yl]-6-fluoro-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 1-cyclopropyl-7-[3-(ethylaminomethyl)-2-methylazetidin-1-yl]-6-fluoro-4-oxoquinoline-3-carboxylic acid is CCNCC1CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C1C.
What is the InChIKey of 1-cyclopropyl-7-[3-(ethylaminomethyl)-2-methylazetidin-1-yl]-6-fluoro-4-oxoquinoline-3-carboxylic acid?
The InChIKey is JTQLMUFIPBXBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O3/c1-3-22-8-12-9-23(11(12)2)18-7-17-14(6-16(18)21)19(25)15(20(26)27)10-24(17)13-4-5-13/h6-7,10-13,22H,3-5,8-9H2,1-2H3,(H,26,27).
What are the key properties of 1-cyclopropyl-7-[3-(ethylaminomethyl)-2-methylazetidin-1-yl]-6-fluoro-4-oxoquinoline-3-carboxylic acid?
1-cyclopropyl-7-[3-(ethylaminomethyl)-2-methylazetidin-1-yl]-6-fluoro-4-oxoquinoline-3-carboxylic acid has a molecular weight of 373.43 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-7-[3-(ethylaminomethyl)-2-methylazetidin-1-yl]-6-fluoro-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 15067890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).