7-[(7S)-7-amino-7-methyl-5-azaspiro[2.4]heptan-5-yl]-8-chloro-6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid

C17H17ClFN3O3 — CID 143430661

About 7-[(7S)-7-amino-7-methyl-5-azaspiro[2.4]heptan-5-yl]-8-chloro-6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid

7-[(7S)-7-amino-7-methyl-5-azaspiro[2.4]heptan-5-yl]-8-chloro-6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid (PubChem CID 143430661) has the molecular formula C17H17ClFN3O3 and a molecular weight of 365.79 g/mol. Its IUPAC name is 7-[(7S)-7-amino-7-methyl-5-azaspiro[2.4]heptan-5-yl]-8-chloro-6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid.

Molecular Properties

• Compound Name: 7-[(7S)-7-amino-7-methyl-5-azaspiro[2.4]heptan-5-yl]-8-chloro-6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid
• PubChem CID: 143430661
• Molecular Formula: C17H17ClFN3O3
• Molecular Weight: 365.79 g/mol
• Exact Mass: 365.09
• IUPAC Name: 7-[(7S)-7-amino-7-methyl-5-azaspiro[2.4]heptan-5-yl]-8-chloro-6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid
• SMILES: C[C@@]1(N)CN(c2c(F)cc3c(=O)c(C(=O)O)c[nH]c3c2Cl)CC12CC2
• InChI: InChI=1S/C17H17ClFN3O3/c1-16(20)6-22(7-17(16)2-3-17)13-10(19)4-8-12(11(13)18)21-5-9(14(8)23)15(24)25/h4-5H,2-3,6-7,20H2,1H3,(H,21,23)(H,24,25)/t16-/m1/s1
• InChIKey: IZMHFJMIXSYCSL-MRXNPFEDSA-N
• XLogP: 2.34
• TPSA: 99.42 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	365.79
LogP ≤ 5	2.34
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 7-[(7S)-7-amino-7-methyl-5-azaspiro[2.4]heptan-5-yl]-8-chloro-6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid?

The IUPAC name of 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) is 7-[(7S)-7-amino-7-methyl-5-azaspiro[2.4]heptan-5-yl]-8-chloro-6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid.

What is the SMILES notation for 7-[(7S)-7-amino-7-methyl-5-azaspiro[2.4]heptan-5-yl]-8-chloro-6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid?

The canonical SMILES for 7-[(7S)-7-amino-7-methyl-5-azaspiro[2.4]heptan-5-yl]-8-chloro-6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid is C[C@@]1(N)CN(c2c(F)cc3c(=O)c(C(=O)O)c[nH]c3c2Cl)CC12CC2.

What is the InChIKey of 7-[(7S)-7-amino-7-methyl-5-azaspiro[2.4]heptan-5-yl]-8-chloro-6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid?

The InChIKey is IZMHFJMIXSYCSL-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H17ClFN3O3/c1-16(20)6-22(7-17(16)2-3-17)13-10(19)4-8-12(11(13)18)21-5-9(14(8)23)15(24)25/h4-5H,2-3,6-7,20H2,1H3,(H,21,23)(H,24,25)/t16-/m1/s1.

What are the key properties of 7-[(7S)-7-amino-7-methyl-5-azaspiro[2.4]heptan-5-yl]-8-chloro-6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid?

7-[(7S)-7-amino-7-methyl-5-azaspiro[2.4]heptan-5-yl]-8-chloro-6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid has a molecular weight of 365.79 g/mol, XLogP of 2.34, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(7S)-7-amino-7-methyl-5-azaspiro[2.4]heptan-5-yl]-8-chloro-6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid is sourced from PubChem (CID 143430661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).