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

C20H20ClN3O4 — CID 71284939

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

6-hydroxy-14-methyl-15-(methylaminomethyl)-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,9,12,15,17-heptaene-5-carboxylic acid;hydrochloride (PubChem CID 71284939) has the molecular formula C20H20ClN3O4 and a molecular weight of 401.85 g/mol. Its IUPAC name is 6-hydroxy-14-methyl-15-(methylaminomethyl)-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,9,12,15,17-heptaene-5-carboxylic acid;hydrochloride.

Molecular Properties

• Compound Name: 6-hydroxy-14-methyl-15-(methylaminomethyl)-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,9,12,15,17-heptaene-5-carboxylic acid;hydrochloride
• PubChem CID: 71284939
• Molecular Formula: C20H20ClN3O4
• Molecular Weight: 401.85 g/mol
• Exact Mass: 401.11
• IUPAC Name: 6-hydroxy-14-methyl-15-(methylaminomethyl)-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,9,12,15,17-heptaene-5-carboxylic acid;hydrochloride
• SMILES: CNCc1cc2cc3c(cc2n1C)C=CCc1c-3[nH]c(=O)c(C(=O)O)c1O.Cl
• InChI: InChI=1S/C20H19N3O4.ClH/c1-21-9-12-6-11-7-14-10(8-15(11)23(12)2)4-3-5-13-17(14)22-19(25)16(18(13)24)20(26)27;/h3-4,6-8,21H,5,9H2,1-2H3,(H,26,27)(H2,22,24,25);1H
• InChIKey: BMIGZQDAEUAYDQ-UHFFFAOYSA-N
• XLogP: 2.65
• TPSA: 107.35 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.85
LogP ≤ 5	2.65
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 6-hydroxy-14-methyl-15-(methylaminomethyl)-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,9,12,15,17-heptaene-5-carboxylic acid;hydrochloride (CID 71284939) is 6-hydroxy-14-methyl-15-(methylaminomethyl)-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,9,12,15,17-heptaene-5-carboxylic acid;hydrochloride.

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

The canonical SMILES for 6-hydroxy-14-methyl-15-(methylaminomethyl)-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,9,12,15,17-heptaene-5-carboxylic acid;hydrochloride is CNCc1cc2cc3c(cc2n1C)C=CCc1c-3[nH]c(=O)c(C(=O)O)c1O.Cl.

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

The InChIKey is BMIGZQDAEUAYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4.ClH/c1-21-9-12-6-11-7-14-10(8-15(11)23(12)2)4-3-5-13-17(14)22-19(25)16(18(13)24)20(26)27;/h3-4,6-8,21H,5,9H2,1-2H3,(H,26,27)(H2,22,24,25);1H.

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

6-hydroxy-14-methyl-15-(methylaminomethyl)-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,9,12,15,17-heptaene-5-carboxylic acid;hydrochloride has a molecular weight of 401.85 g/mol, XLogP of 2.65, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-hydroxy-14-methyl-15-(methylaminomethyl)-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,9,12,15,17-heptaene-5-carboxylic acid;hydrochloride is sourced from PubChem (CID 71284939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).