7-[2-(aminomethoxy)piperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid

C20H24FN3O4 — CID 22474802

IUPAC7-[2-(aminomethoxy)piperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid
SMILESCc1c(N2CCCCC2OCN)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12
InChIInChI=1S/C20H24FN3O4/c1-11-17-13(19(25)14(20(26)27)9-24(17)12-5-6-12)8-15(21)18(11)23-7-3-2-4-16(23)28-10-22/h8-9,12,16H,2-7,10,22H2,1H3,(H,26,27)
InChIKeyDUQBXMNFXIAQEL-UHFFFAOYSA-N
MW389.43 g/mol
LogP2.73
Rot. Bonds5

About 7-[2-(aminomethoxy)piperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid

7-[2-(aminomethoxy)piperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid (PubChem CID 22474802) has the molecular formula C20H24FN3O4 and a molecular weight of 389.43 g/mol. Its IUPAC name is 7-[2-(aminomethoxy)piperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name7-[2-(aminomethoxy)piperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid
PubChem CID22474802
Molecular FormulaC20H24FN3O4
Molecular Weight389.43 g/mol
Exact Mass389.18
IUPAC Name7-[2-(aminomethoxy)piperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid
SMILESCc1c(N2CCCCC2OCN)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12
InChIInChI=1S/C20H24FN3O4/c1-11-17-13(19(25)14(20(26)27)9-24(17)12-5-6-12)8-15(21)18(11)23-7-3-2-4-16(23)28-10-22/h8-9,12,16H,2-7,10,22H2,1H3,(H,26,27)
InChIKeyDUQBXMNFXIAQEL-UHFFFAOYSA-N
XLogP2.73
TPSA97.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 7-[2-(aminomethoxy)piperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

8-[2-(aminomethoxy)piperidin-1-yl]-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid
CID 22474791
1-cyclopropyl-6-fluoro-8-methyl-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
CID 14052587
1-cyclopropyl-6-fluoro-7-[3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-8-methyl-4-oxoquinoline-3-carboxylic acid
CID 11749619
7-[(3S,4S)-3-amino-4-ethylpyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid;molecular fluorine
CID 159013020
1-cyclopropyl-7-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid
CID 11710485
7-[(3S,4S)-4-amino-3-methylpiperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid
CID 69018587
7-(1-aminocyclopropyl)-1-cyclopropyl-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid
CID 139671294
1-cyclopropyl-7-[3-(1,2-dihydroxyethyl)piperidin-1-yl]-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid
CID 11165600
1-cyclopropyl-7-[(2S,3S)-2-ethyl-3-hydroxyazetidin-1-yl]-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 10090157
1-cyclopropyl-6-fluoro-4-oxo-8-propyl-7-pyrrolidin-1-ylquinoline-3-carboxylic acid
CID 143890841
7-[3-(1-amino-2-cyanoethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid
CID 11773899
7-(3-amino-2,2-dimethylazetidin-1-yl)-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 10021592

Frequently Asked Questions

What is the IUPAC name of 7-[2-(aminomethoxy)piperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 7-[2-(aminomethoxy)piperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid (CID 22474802) is 7-[2-(aminomethoxy)piperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 7-[2-(aminomethoxy)piperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 7-[2-(aminomethoxy)piperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid is Cc1c(N2CCCCC2OCN)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12.
What is the InChIKey of 7-[2-(aminomethoxy)piperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid?
The InChIKey is DUQBXMNFXIAQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O4/c1-11-17-13(19(25)14(20(26)27)9-24(17)12-5-6-12)8-15(21)18(11)23-7-3-2-4-16(23)28-10-22/h8-9,12,16H,2-7,10,22H2,1H3,(H,26,27).
What are the key properties of 7-[2-(aminomethoxy)piperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid?
7-[2-(aminomethoxy)piperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid has a molecular weight of 389.43 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(aminomethoxy)piperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 22474802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).