6-hydroxy-14-methyl-15-(methylaminomethyl)-4-oxo-3,10,14-triazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid

C19H20N4O4 — CID 71282159

IUPAC6-hydroxy-14-methyl-15-(methylaminomethyl)-4-oxo-3,10,14-triazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid
SMILESCNCc1cc2cc3c(cc2n1C)NCCc1c-3[nH]c(=O)c(C(=O)O)c1O
InChIInChI=1S/C19H20N4O4/c1-20-8-10-5-9-6-12-13(7-14(9)23(10)2)21-4-3-11-16(12)22-18(25)15(17(11)24)19(26)27/h5-7,20-21H,3-4,8H2,1-2H3,(H,26,27)(H2,22,24,25)
InChIKeyIMCXZKJVSLTULU-UHFFFAOYSA-N
MW368.39 g/mol
LogP1.62
Rot. Bonds3

About 6-hydroxy-14-methyl-15-(methylaminomethyl)-4-oxo-3,10,14-triazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid

6-hydroxy-14-methyl-15-(methylaminomethyl)-4-oxo-3,10,14-triazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid (PubChem CID 71282159) has the molecular formula C19H20N4O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is 6-hydroxy-14-methyl-15-(methylaminomethyl)-4-oxo-3,10,14-triazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid.

Molecular Properties

Compound Name6-hydroxy-14-methyl-15-(methylaminomethyl)-4-oxo-3,10,14-triazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid
PubChem CID71282159
Molecular FormulaC19H20N4O4
Molecular Weight368.39 g/mol
Exact Mass368.15
IUPAC Name6-hydroxy-14-methyl-15-(methylaminomethyl)-4-oxo-3,10,14-triazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid
SMILESCNCc1cc2cc3c(cc2n1C)NCCc1c-3[nH]c(=O)c(C(=O)O)c1O
InChIInChI=1S/C19H20N4O4/c1-20-8-10-5-9-6-12-13(7-14(9)23(10)2)21-4-3-11-16(12)22-18(25)15(17(11)24)19(26)27/h5-7,20-21H,3-4,8H2,1-2H3,(H,26,27)(H2,22,24,25)
InChIKeyIMCXZKJVSLTULU-UHFFFAOYSA-N
XLogP1.62
TPSA119.38 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 51.62
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze 6-hydroxy-14-methyl-15-(methylaminomethyl)-4-oxo-3,10,14-triazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-14-methyl-15-(methylaminomethyl)-4-oxo-3,10,14-triazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid?
The IUPAC name of 6-hydroxy-14-methyl-15-(methylaminomethyl)-4-oxo-3,10,14-triazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid (CID 71282159) is 6-hydroxy-14-methyl-15-(methylaminomethyl)-4-oxo-3,10,14-triazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid.
What is the SMILES notation for 6-hydroxy-14-methyl-15-(methylaminomethyl)-4-oxo-3,10,14-triazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid?
The canonical SMILES for 6-hydroxy-14-methyl-15-(methylaminomethyl)-4-oxo-3,10,14-triazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid is CNCc1cc2cc3c(cc2n1C)NCCc1c-3[nH]c(=O)c(C(=O)O)c1O.
What is the InChIKey of 6-hydroxy-14-methyl-15-(methylaminomethyl)-4-oxo-3,10,14-triazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid?
The InChIKey is IMCXZKJVSLTULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4/c1-20-8-10-5-9-6-12-13(7-14(9)23(10)2)21-4-3-11-16(12)22-18(25)15(17(11)24)19(26)27/h5-7,20-21H,3-4,8H2,1-2H3,(H,26,27)(H2,22,24,25).
What are the key properties of 6-hydroxy-14-methyl-15-(methylaminomethyl)-4-oxo-3,10,14-triazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid?
6-hydroxy-14-methyl-15-(methylaminomethyl)-4-oxo-3,10,14-triazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid has a molecular weight of 368.39 g/mol, XLogP of 1.62, 3 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-14-methyl-15-(methylaminomethyl)-4-oxo-3,10,14-triazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid is sourced from PubChem (CID 71282159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).