6-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]-7-fluoro-2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid;hydrochloride

C20H25ClFN3O4 — CID 45263124

About 6-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]-7-fluoro-2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid;hydrochloride

6-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]-7-fluoro-2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid;hydrochloride (PubChem CID 45263124) has the molecular formula C20H25ClFN3O4 and a molecular weight of 425.89 g/mol. Its IUPAC name is 6-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]-7-fluoro-2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid;hydrochloride.

Molecular Properties

• Compound Name: 6-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]-7-fluoro-2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid;hydrochloride
• PubChem CID: 45263124
• Molecular Formula: C20H25ClFN3O4
• Molecular Weight: 425.89 g/mol
• Exact Mass: 425.15
• IUPAC Name: 6-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]-7-fluoro-2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid;hydrochloride
• SMILES: CC1COc2c(N3CCC(CN(C)C)C3)c(F)cc3c(=O)c(C(=O)O)cn1c23.Cl
• InChI: InChI=1S/C20H24FN3O4.ClH/c1-11-10-28-19-16-13(18(25)14(20(26)27)9-24(11)16)6-15(21)17(19)23-5-4-12(8-23)7-22(2)3;/h6,9,11-12H,4-5,7-8,10H2,1-3H3,(H,26,27);1H
• InChIKey: KJDIZPLTZAYGSD-UHFFFAOYSA-N
• XLogP: 2.60
• TPSA: 75.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	425.89
LogP ≤ 5	2.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]-7-fluoro-2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid;hydrochloride?

The IUPAC name of 6-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]-7-fluoro-2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid;hydrochloride (CID 45263124) is 6-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]-7-fluoro-2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid;hydrochloride.

What is the SMILES notation for 6-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]-7-fluoro-2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid;hydrochloride?

The canonical SMILES for 6-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]-7-fluoro-2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid;hydrochloride is CC1COc2c(N3CCC(CN(C)C)C3)c(F)cc3c(=O)c(C(=O)O)cn1c23.Cl.

What is the InChIKey of 6-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]-7-fluoro-2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid;hydrochloride?

The InChIKey is KJDIZPLTZAYGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O4.ClH/c1-11-10-28-19-16-13(18(25)14(20(26)27)9-24(11)16)6-15(21)17(19)23-5-4-12(8-23)7-22(2)3;/h6,9,11-12H,4-5,7-8,10H2,1-3H3,(H,26,27);1H.

What are the key properties of 6-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]-7-fluoro-2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid;hydrochloride?

6-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]-7-fluoro-2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid;hydrochloride has a molecular weight of 425.89 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]-7-fluoro-2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid;hydrochloride is sourced from PubChem (CID 45263124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).