7-[3-(aminomethyl)morpholin-4-yl]-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid

C17H19F2N3O4 — CID 19834959

About 7-[3-(aminomethyl)morpholin-4-yl]-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid

7-[3-(aminomethyl)morpholin-4-yl]-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid (PubChem CID 19834959) has the molecular formula C17H19F2N3O4 and a molecular weight of 367.35 g/mol. Its IUPAC name is 7-[3-(aminomethyl)morpholin-4-yl]-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

• Compound Name: 7-[3-(aminomethyl)morpholin-4-yl]-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
• PubChem CID: 19834959
• Molecular Formula: C17H19F2N3O4
• Molecular Weight: 367.35 g/mol
• Exact Mass: 367.13
• IUPAC Name: 7-[3-(aminomethyl)morpholin-4-yl]-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
• SMILES: CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCOCC3CN)c(F)c21
• InChI: InChI=1S/C17H19F2N3O4/c1-2-21-7-11(17(24)25)16(23)10-5-12(18)15(13(19)14(10)21)22-3-4-26-8-9(22)6-20/h5,7,9H,2-4,6,8,20H2,1H3,(H,24,25)
• InChIKey: NZRDAMHKPCIHHA-UHFFFAOYSA-N
• XLogP: 1.16
• TPSA: 97.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.35
LogP ≤ 5	1.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 7-[3-(aminomethyl)morpholin-4-yl]-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid?

The IUPAC name of 7-[3-(aminomethyl)morpholin-4-yl]-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid (CID 19834959) is 7-[3-(aminomethyl)morpholin-4-yl]-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid.

What is the SMILES notation for 7-[3-(aminomethyl)morpholin-4-yl]-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid?

The canonical SMILES for 7-[3-(aminomethyl)morpholin-4-yl]-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid is CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCOCC3CN)c(F)c21.

What is the InChIKey of 7-[3-(aminomethyl)morpholin-4-yl]-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid?

The InChIKey is NZRDAMHKPCIHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N3O4/c1-2-21-7-11(17(24)25)16(23)10-5-12(18)15(13(19)14(10)21)22-3-4-26-8-9(22)6-20/h5,7,9H,2-4,6,8,20H2,1H3,(H,24,25).

What are the key properties of 7-[3-(aminomethyl)morpholin-4-yl]-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid?

7-[3-(aminomethyl)morpholin-4-yl]-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid has a molecular weight of 367.35 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[3-(aminomethyl)morpholin-4-yl]-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 19834959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).