8-[2-(aminomethoxy)piperidin-1-yl]-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid

C20H24FN3O4 — CID 22474791

IUPAC8-[2-(aminomethoxy)piperidin-1-yl]-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid
SMILESCc1c(N2CCCCC2OCN)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12
InChIInChI=1S/C20H24FN3O4/c1-11-17-13(12-5-6-12)8-14(20(26)27)19(25)24(17)9-15(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)
InChIKeyGLRVJUBATCZWIS-UHFFFAOYSA-N
MW389.43 g/mol
LogP2.57
Rot. Bonds5

About 8-[2-(aminomethoxy)piperidin-1-yl]-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid

8-[2-(aminomethoxy)piperidin-1-yl]-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid (PubChem CID 22474791) has the molecular formula C20H24FN3O4 and a molecular weight of 389.43 g/mol. Its IUPAC name is 8-[2-(aminomethoxy)piperidin-1-yl]-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid.

Molecular Properties

Compound Name8-[2-(aminomethoxy)piperidin-1-yl]-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid
PubChem CID22474791
Molecular FormulaC20H24FN3O4
Molecular Weight389.43 g/mol
Exact Mass389.18
IUPAC Name8-[2-(aminomethoxy)piperidin-1-yl]-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid
SMILESCc1c(N2CCCCC2OCN)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12
InChIInChI=1S/C20H24FN3O4/c1-11-17-13(12-5-6-12)8-14(20(26)27)19(25)24(17)9-15(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)
InChIKeyGLRVJUBATCZWIS-UHFFFAOYSA-N
XLogP2.57
TPSA97.27 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 ≤ 52.57
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 8-[2-(aminomethoxy)piperidin-1-yl]-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

7-[2-(aminomethoxy)piperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid
CID 22474802
1-cyclopropyl-7-fluoro-9-methyl-8-(3-methylpiperidin-1-yl)-4-oxoquinolizine-3-carboxylic acid
CID 123768634
8-(3-amino-4-methoxypyrrolidin-1-yl)-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid
CID 512777
1-cyclopropyl-8-(3,5-dimethylpiperazin-1-yl)-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid;hydrochloride
CID 78192833
8-[(3S,4R)-3-amino-4-fluoropyrrolidin-1-yl]-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid;hydrochloride
CID 22211272
8-(3-amino-3,6-dihydro-2H-pyridin-1-yl)-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid
CID 10668306
8-(8-amino-6-azaspiro[3.4]octan-6-yl)-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid
CID 19691519
1-cyclopropyl-7-fluoro-9-methyl-8-[(3R)-3-(methylamino)pyrrolidin-1-yl]-4-oxoquinolizine-3-carboxylic acid;hydrochloride
CID 139719071
[(3S)-1-(7-carboxy-9-cyclopropyl-3-fluoro-1-methyl-6-oxoquinolizin-2-yl)pyrrolidin-3-yl]-(2-methoxyethyl)azanium chloride
CID 10717921
[(3R,4S)-1-(7-carboxy-9-cyclopropyl-3-fluoro-1-methyl-6-oxoquinolizin-2-yl)-4-cyclopropylpyrrolidin-3-yl]azanium chloride
CID 10598295
ethyl 8-[(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-b]pyridin-1-yl]-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylate
CID 10693062
1-cyclopropyl-7-fluoro-9-methyl-4-oxo-8-(3-piperidin-4-ylpyrrolidin-1-yl)quinolizine-3-carboxylic acid
CID 58593101

Frequently Asked Questions

What is the IUPAC name of 8-[2-(aminomethoxy)piperidin-1-yl]-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid?
The IUPAC name of 8-[2-(aminomethoxy)piperidin-1-yl]-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid (CID 22474791) is 8-[2-(aminomethoxy)piperidin-1-yl]-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid.
What is the SMILES notation for 8-[2-(aminomethoxy)piperidin-1-yl]-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid?
The canonical SMILES for 8-[2-(aminomethoxy)piperidin-1-yl]-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid is Cc1c(N2CCCCC2OCN)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12.
What is the InChIKey of 8-[2-(aminomethoxy)piperidin-1-yl]-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid?
The InChIKey is GLRVJUBATCZWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O4/c1-11-17-13(12-5-6-12)8-14(20(26)27)19(25)24(17)9-15(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 8-[2-(aminomethoxy)piperidin-1-yl]-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid?
8-[2-(aminomethoxy)piperidin-1-yl]-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid has a molecular weight of 389.43 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(aminomethoxy)piperidin-1-yl]-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid is sourced from PubChem (CID 22474791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).