1-cyclopropyl-6-fluoro-8-methyl-7-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoquinoline-3-carboxylic acid

C20H24FN3O3 — CID 118864628

IUPAC1-cyclopropyl-6-fluoro-8-methyl-7-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoquinoline-3-carboxylic acid
SMILESCNCC1CCN(c2c(F)cc3cc(C(=O)O)c(=O)n(C4CC4)c3c2C)C1
InChIInChI=1S/C20H24FN3O3/c1-11-17-13(7-15(20(26)27)19(25)24(17)14-3-4-14)8-16(21)18(11)23-6-5-12(10-23)9-22-2/h7-8,12,14,22H,3-6,9-10H2,1-2H3,(H,26,27)
InChIKeyMESLKHRKZVJDQZ-UHFFFAOYSA-N
MW373.43 g/mol
LogP2.53
Rot. Bonds5

About 1-cyclopropyl-6-fluoro-8-methyl-7-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoquinoline-3-carboxylic acid

1-cyclopropyl-6-fluoro-8-methyl-7-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoquinoline-3-carboxylic acid (PubChem CID 118864628) has the molecular formula C20H24FN3O3 and a molecular weight of 373.43 g/mol. Its IUPAC name is 1-cyclopropyl-6-fluoro-8-methyl-7-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name1-cyclopropyl-6-fluoro-8-methyl-7-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoquinoline-3-carboxylic acid
PubChem CID118864628
Molecular FormulaC20H24FN3O3
Molecular Weight373.43 g/mol
Exact Mass373.18
IUPAC Name1-cyclopropyl-6-fluoro-8-methyl-7-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoquinoline-3-carboxylic acid
SMILESCNCC1CCN(c2c(F)cc3cc(C(=O)O)c(=O)n(C4CC4)c3c2C)C1
InChIInChI=1S/C20H24FN3O3/c1-11-17-13(7-15(20(26)27)19(25)24(17)14-3-4-14)8-16(21)18(11)23-6-5-12(10-23)9-22-2/h7-8,12,14,22H,3-6,9-10H2,1-2H3,(H,26,27)
InChIKeyMESLKHRKZVJDQZ-UHFFFAOYSA-N
XLogP2.53
TPSA74.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-6-fluoro-8-methyl-7-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoquinoline-3-carboxylic acid?
The IUPAC name of 1-cyclopropyl-6-fluoro-8-methyl-7-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoquinoline-3-carboxylic acid (CID 118864628) is 1-cyclopropyl-6-fluoro-8-methyl-7-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 1-cyclopropyl-6-fluoro-8-methyl-7-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 1-cyclopropyl-6-fluoro-8-methyl-7-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoquinoline-3-carboxylic acid is CNCC1CCN(c2c(F)cc3cc(C(=O)O)c(=O)n(C4CC4)c3c2C)C1.
What is the InChIKey of 1-cyclopropyl-6-fluoro-8-methyl-7-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoquinoline-3-carboxylic acid?
The InChIKey is MESLKHRKZVJDQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O3/c1-11-17-13(7-15(20(26)27)19(25)24(17)14-3-4-14)8-16(21)18(11)23-6-5-12(10-23)9-22-2/h7-8,12,14,22H,3-6,9-10H2,1-2H3,(H,26,27).
What are the key properties of 1-cyclopropyl-6-fluoro-8-methyl-7-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoquinoline-3-carboxylic acid?
1-cyclopropyl-6-fluoro-8-methyl-7-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoquinoline-3-carboxylic acid has a molecular weight of 373.43 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-6-fluoro-8-methyl-7-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 118864628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).