7-(8-amino-6-azaspiro[2.5]octan-6-yl)-8-cyclopropyl-6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid

C20H22FN3O3 — CID 67795100

IUPAC7-(8-amino-6-azaspiro[2.5]octan-6-yl)-8-cyclopropyl-6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid
SMILESNC1CN(c2c(F)cc3c(=O)c(C(=O)O)c[nH]c3c2C2CC2)CCC12CC2
InChIInChI=1S/C20H22FN3O3/c21-13-7-11-16(23-8-12(18(11)25)19(26)27)15(10-1-2-10)17(13)24-6-5-20(3-4-20)14(22)9-24/h7-8,10,14H,1-6,9,22H2,(H,23,25)(H,26,27)
InChIKeyYDKCRBNWLKIZEZ-UHFFFAOYSA-N
MW371.41 g/mol
LogP2.56
Rot. Bonds3

About 7-(8-amino-6-azaspiro[2.5]octan-6-yl)-8-cyclopropyl-6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid

7-(8-amino-6-azaspiro[2.5]octan-6-yl)-8-cyclopropyl-6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid (PubChem CID 67795100) has the molecular formula C20H22FN3O3 and a molecular weight of 371.41 g/mol. Its IUPAC name is 7-(8-amino-6-azaspiro[2.5]octan-6-yl)-8-cyclopropyl-6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name7-(8-amino-6-azaspiro[2.5]octan-6-yl)-8-cyclopropyl-6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid
PubChem CID67795100
Molecular FormulaC20H22FN3O3
Molecular Weight371.41 g/mol
Exact Mass371.16
IUPAC Name7-(8-amino-6-azaspiro[2.5]octan-6-yl)-8-cyclopropyl-6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid
SMILESNC1CN(c2c(F)cc3c(=O)c(C(=O)O)c[nH]c3c2C2CC2)CCC12CC2
InChIInChI=1S/C20H22FN3O3/c21-13-7-11-16(23-8-12(18(11)25)19(26)27)15(10-1-2-10)17(13)24-6-5-20(3-4-20)14(22)9-24/h7-8,10,14H,1-6,9,22H2,(H,23,25)(H,26,27)
InChIKeyYDKCRBNWLKIZEZ-UHFFFAOYSA-N
XLogP2.56
TPSA99.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 7-(8-amino-6-azaspiro[2.5]octan-6-yl)-8-cyclopropyl-6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid with MolForge

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Related Compounds

8-cyclopropyl-6-fluoro-7-[3-[(2-hydroxyethylamino)methyl]pyrrolidin-1-yl]-4-oxo-1H-quinoline-3-carboxylic acid
CID 70438392
7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid
CID 19018952
7-[(7S)-7-amino-7-methyl-5-azaspiro[2.4]heptan-5-yl]-8-chloro-6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid
CID 143430661
7-[(2S,3R)-2-amino-5-azaspiro[2.4]heptan-5-yl]-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 67881068
6,7-difluoro-8-hydroxy-4-oxo-1H-quinoline-3-carboxylic acid
CID 14455621
7-(3-amino-4-methylpiperidin-1-yl)-6-cyclopropyl-8-methoxy-4-oxo-1H-quinoline-3-carboxylic acid
CID 70278208
(2S)-6-(7-amino-5-azaspiro[2.4]heptan-5-yl)-7-fluoro-2-methyl-10-oxo-4-thia-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid
CID 22850459
7-(7-amino-5-azaspiro[2.4]heptan-5-yl)-1-ethenyl-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid
CID 139707120
7-(4-amino-3,3-dimethylpyrrolidin-1-yl)-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 139625003
6-(7-amino-5-azaspiro[2.4]heptan-5-yl)-7-fluoro-2-methyl-10-oxo-1,2-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid;hydrochloride
CID 67762419
7-[(3R)-3-aminopyrrolidin-1-yl]-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid
CID 10017205
7-[(7S)-7-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methoxy-4-oxoquinoline-3-carboxylic acid;hydrochloride
CID 10138233

Frequently Asked Questions

What is the IUPAC name of 7-(8-amino-6-azaspiro[2.5]octan-6-yl)-8-cyclopropyl-6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid?
The IUPAC name of 7-(8-amino-6-azaspiro[2.5]octan-6-yl)-8-cyclopropyl-6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid (CID 67795100) is 7-(8-amino-6-azaspiro[2.5]octan-6-yl)-8-cyclopropyl-6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid.
What is the SMILES notation for 7-(8-amino-6-azaspiro[2.5]octan-6-yl)-8-cyclopropyl-6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid?
The canonical SMILES for 7-(8-amino-6-azaspiro[2.5]octan-6-yl)-8-cyclopropyl-6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid is NC1CN(c2c(F)cc3c(=O)c(C(=O)O)c[nH]c3c2C2CC2)CCC12CC2.
What is the InChIKey of 7-(8-amino-6-azaspiro[2.5]octan-6-yl)-8-cyclopropyl-6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid?
The InChIKey is YDKCRBNWLKIZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O3/c21-13-7-11-16(23-8-12(18(11)25)19(26)27)15(10-1-2-10)17(13)24-6-5-20(3-4-20)14(22)9-24/h7-8,10,14H,1-6,9,22H2,(H,23,25)(H,26,27).
What are the key properties of 7-(8-amino-6-azaspiro[2.5]octan-6-yl)-8-cyclopropyl-6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid?
7-(8-amino-6-azaspiro[2.5]octan-6-yl)-8-cyclopropyl-6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid has a molecular weight of 371.41 g/mol, XLogP of 2.56, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(8-amino-6-azaspiro[2.5]octan-6-yl)-8-cyclopropyl-6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid is sourced from PubChem (CID 67795100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).