8-(8-amino-6-azaspiro[3.4]octan-6-yl)-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid

C21H24FN3O3 — CID 19691519

IUPAC8-(8-amino-6-azaspiro[3.4]octan-6-yl)-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid
SMILESCc1c(N2CC(N)C3(CCC3)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12
InChIInChI=1S/C21H24FN3O3/c1-11-17-13(12-3-4-12)7-14(20(27)28)19(26)25(17)8-15(22)18(11)24-9-16(23)21(10-24)5-2-6-21/h7-8,12,16H,2-6,9-10,23H2,1H3,(H,27,28)
InChIKeyOXWNSXNRLWXALH-UHFFFAOYSA-N
MW385.44 g/mol
LogP2.64
Rot. Bonds3

About 8-(8-amino-6-azaspiro[3.4]octan-6-yl)-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid

8-(8-amino-6-azaspiro[3.4]octan-6-yl)-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid (PubChem CID 19691519) has the molecular formula C21H24FN3O3 and a molecular weight of 385.44 g/mol. Its IUPAC name is 8-(8-amino-6-azaspiro[3.4]octan-6-yl)-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid.

Molecular Properties

Compound Name8-(8-amino-6-azaspiro[3.4]octan-6-yl)-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid
PubChem CID19691519
Molecular FormulaC21H24FN3O3
Molecular Weight385.44 g/mol
Exact Mass385.18
IUPAC Name8-(8-amino-6-azaspiro[3.4]octan-6-yl)-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid
SMILESCc1c(N2CC(N)C3(CCC3)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12
InChIInChI=1S/C21H24FN3O3/c1-11-17-13(12-3-4-12)7-14(20(27)28)19(26)25(17)8-15(22)18(11)24-9-16(23)21(10-24)5-2-6-21/h7-8,12,16H,2-6,9-10,23H2,1H3,(H,27,28)
InChIKeyOXWNSXNRLWXALH-UHFFFAOYSA-N
XLogP2.64
TPSA88.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(8-amino-6-azaspiro[3.4]octan-6-yl)-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid?
The IUPAC name of 8-(8-amino-6-azaspiro[3.4]octan-6-yl)-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid (CID 19691519) is 8-(8-amino-6-azaspiro[3.4]octan-6-yl)-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid.
What is the SMILES notation for 8-(8-amino-6-azaspiro[3.4]octan-6-yl)-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid?
The canonical SMILES for 8-(8-amino-6-azaspiro[3.4]octan-6-yl)-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid is Cc1c(N2CC(N)C3(CCC3)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12.
What is the InChIKey of 8-(8-amino-6-azaspiro[3.4]octan-6-yl)-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid?
The InChIKey is OXWNSXNRLWXALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O3/c1-11-17-13(12-3-4-12)7-14(20(27)28)19(26)25(17)8-15(22)18(11)24-9-16(23)21(10-24)5-2-6-21/h7-8,12,16H,2-6,9-10,23H2,1H3,(H,27,28).
What are the key properties of 8-(8-amino-6-azaspiro[3.4]octan-6-yl)-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid?
8-(8-amino-6-azaspiro[3.4]octan-6-yl)-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid has a molecular weight of 385.44 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(8-amino-6-azaspiro[3.4]octan-6-yl)-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid is sourced from PubChem (CID 19691519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).