6-hydroxy-14-methyl-4-oxo-15-(pyrrolidin-1-ylmethyl)-9-oxa-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;hydrochloride

C22H24ClN3O5 — CID 118865366

About 6-hydroxy-14-methyl-4-oxo-15-(pyrrolidin-1-ylmethyl)-9-oxa-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;hydrochloride

6-hydroxy-14-methyl-4-oxo-15-(pyrrolidin-1-ylmethyl)-9-oxa-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;hydrochloride (PubChem CID 118865366) has the molecular formula C22H24ClN3O5 and a molecular weight of 445.90 g/mol. Its IUPAC name is 6-hydroxy-14-methyl-4-oxo-15-(pyrrolidin-1-ylmethyl)-9-oxa-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;hydrochloride.

Molecular Properties

• Compound Name: 6-hydroxy-14-methyl-4-oxo-15-(pyrrolidin-1-ylmethyl)-9-oxa-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;hydrochloride
• PubChem CID: 118865366
• Molecular Formula: C22H24ClN3O5
• Molecular Weight: 445.90 g/mol
• Exact Mass: 445.14
• IUPAC Name: 6-hydroxy-14-methyl-4-oxo-15-(pyrrolidin-1-ylmethyl)-9-oxa-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;hydrochloride
• SMILES: Cl.Cn1c(CN2CCCC2)cc2cc3c(cc21)COCc1c-3[nH]c(=O)c(C(=O)O)c1O
• InChI: InChI=1S/C22H23N3O5.ClH/c1-24-14(9-25-4-2-3-5-25)6-12-7-15-13(8-17(12)24)10-30-11-16-19(15)23-21(27)18(20(16)26)22(28)29;/h6-8H,2-5,9-11H2,1H3,(H,28,29)(H2,23,26,27);1H
• InChIKey: YKVOPLWUBMXBJP-UHFFFAOYSA-N
• XLogP: 2.99
• TPSA: 107.79 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.90
LogP ≤ 5	2.99
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-14-methyl-4-oxo-15-(pyrrolidin-1-ylmethyl)-9-oxa-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;hydrochloride?

The IUPAC name of 6-hydroxy-14-methyl-4-oxo-15-(pyrrolidin-1-ylmethyl)-9-oxa-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;hydrochloride (CID 118865366) is 6-hydroxy-14-methyl-4-oxo-15-(pyrrolidin-1-ylmethyl)-9-oxa-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;hydrochloride.

What is the SMILES notation for 6-hydroxy-14-methyl-4-oxo-15-(pyrrolidin-1-ylmethyl)-9-oxa-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;hydrochloride?

The canonical SMILES for 6-hydroxy-14-methyl-4-oxo-15-(pyrrolidin-1-ylmethyl)-9-oxa-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;hydrochloride is Cl.Cn1c(CN2CCCC2)cc2cc3c(cc21)COCc1c-3[nH]c(=O)c(C(=O)O)c1O.

What is the InChIKey of 6-hydroxy-14-methyl-4-oxo-15-(pyrrolidin-1-ylmethyl)-9-oxa-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;hydrochloride?

The InChIKey is YKVOPLWUBMXBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O5.ClH/c1-24-14(9-25-4-2-3-5-25)6-12-7-15-13(8-17(12)24)10-30-11-16-19(15)23-21(27)18(20(16)26)22(28)29;/h6-8H,2-5,9-11H2,1H3,(H,28,29)(H2,23,26,27);1H.

What are the key properties of 6-hydroxy-14-methyl-4-oxo-15-(pyrrolidin-1-ylmethyl)-9-oxa-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;hydrochloride?

6-hydroxy-14-methyl-4-oxo-15-(pyrrolidin-1-ylmethyl)-9-oxa-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;hydrochloride has a molecular weight of 445.90 g/mol, XLogP of 2.99, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-hydroxy-14-methyl-4-oxo-15-(pyrrolidin-1-ylmethyl)-9-oxa-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid;hydrochloride is sourced from PubChem (CID 118865366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).