6-hydroxy-15-methyl-14-(methylaminomethyl)-4-oxo-3,15-diazatetracyclo[9.7.0.02,7.012,16]octadeca-1(11),2(7),5,12(16),13,17-hexaene-5-carboxylic acid

C20H21N3O4 — CID 71284816

IUPAC6-hydroxy-15-methyl-14-(methylaminomethyl)-4-oxo-3,15-diazatetracyclo[9.7.0.02,7.012,16]octadeca-1(11),2(7),5,12(16),13,17-hexaene-5-carboxylic acid
SMILESCNCc1cc2c3c(ccc2n1C)-c1[nH]c(=O)c(C(=O)O)c(O)c1CCC3
InChIInChI=1S/C20H21N3O4/c1-21-9-10-8-14-11-4-3-5-13-17(12(11)6-7-15(14)23(10)2)22-19(25)16(18(13)24)20(26)27/h6-8,21H,3-5,9H2,1-2H3,(H,26,27)(H2,22,24,25)
InChIKeyVRWIUIVDJWQJHX-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.15
Rot. Bonds3

About 6-hydroxy-15-methyl-14-(methylaminomethyl)-4-oxo-3,15-diazatetracyclo[9.7.0.02,7.012,16]octadeca-1(11),2(7),5,12(16),13,17-hexaene-5-carboxylic acid

6-hydroxy-15-methyl-14-(methylaminomethyl)-4-oxo-3,15-diazatetracyclo[9.7.0.02,7.012,16]octadeca-1(11),2(7),5,12(16),13,17-hexaene-5-carboxylic acid (PubChem CID 71284816) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is 6-hydroxy-15-methyl-14-(methylaminomethyl)-4-oxo-3,15-diazatetracyclo[9.7.0.02,7.012,16]octadeca-1(11),2(7),5,12(16),13,17-hexaene-5-carboxylic acid.

Molecular Properties

Compound Name6-hydroxy-15-methyl-14-(methylaminomethyl)-4-oxo-3,15-diazatetracyclo[9.7.0.02,7.012,16]octadeca-1(11),2(7),5,12(16),13,17-hexaene-5-carboxylic acid
PubChem CID71284816
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Name6-hydroxy-15-methyl-14-(methylaminomethyl)-4-oxo-3,15-diazatetracyclo[9.7.0.02,7.012,16]octadeca-1(11),2(7),5,12(16),13,17-hexaene-5-carboxylic acid
SMILESCNCc1cc2c3c(ccc2n1C)-c1[nH]c(=O)c(C(=O)O)c(O)c1CCC3
InChIInChI=1S/C20H21N3O4/c1-21-9-10-8-14-11-4-3-5-13-17(12(11)6-7-15(14)23(10)2)22-19(25)16(18(13)24)20(26)27/h6-8,21H,3-5,9H2,1-2H3,(H,26,27)(H2,22,24,25)
InChIKeyVRWIUIVDJWQJHX-UHFFFAOYSA-N
XLogP2.15
TPSA107.35 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 6-hydroxy-15-methyl-14-(methylaminomethyl)-4-oxo-3,15-diazatetracyclo[9.7.0.02,7.012,16]octadeca-1(11),2(7),5,12(16),13,17-hexaene-5-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-15-methyl-14-(methylaminomethyl)-4-oxo-3,15-diazatetracyclo[9.7.0.02,7.012,16]octadeca-1(11),2(7),5,12(16),13,17-hexaene-5-carboxylic acid?
The IUPAC name of 6-hydroxy-15-methyl-14-(methylaminomethyl)-4-oxo-3,15-diazatetracyclo[9.7.0.02,7.012,16]octadeca-1(11),2(7),5,12(16),13,17-hexaene-5-carboxylic acid (CID 71284816) is 6-hydroxy-15-methyl-14-(methylaminomethyl)-4-oxo-3,15-diazatetracyclo[9.7.0.02,7.012,16]octadeca-1(11),2(7),5,12(16),13,17-hexaene-5-carboxylic acid.
What is the SMILES notation for 6-hydroxy-15-methyl-14-(methylaminomethyl)-4-oxo-3,15-diazatetracyclo[9.7.0.02,7.012,16]octadeca-1(11),2(7),5,12(16),13,17-hexaene-5-carboxylic acid?
The canonical SMILES for 6-hydroxy-15-methyl-14-(methylaminomethyl)-4-oxo-3,15-diazatetracyclo[9.7.0.02,7.012,16]octadeca-1(11),2(7),5,12(16),13,17-hexaene-5-carboxylic acid is CNCc1cc2c3c(ccc2n1C)-c1[nH]c(=O)c(C(=O)O)c(O)c1CCC3.
What is the InChIKey of 6-hydroxy-15-methyl-14-(methylaminomethyl)-4-oxo-3,15-diazatetracyclo[9.7.0.02,7.012,16]octadeca-1(11),2(7),5,12(16),13,17-hexaene-5-carboxylic acid?
The InChIKey is VRWIUIVDJWQJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-21-9-10-8-14-11-4-3-5-13-17(12(11)6-7-15(14)23(10)2)22-19(25)16(18(13)24)20(26)27/h6-8,21H,3-5,9H2,1-2H3,(H,26,27)(H2,22,24,25).
What are the key properties of 6-hydroxy-15-methyl-14-(methylaminomethyl)-4-oxo-3,15-diazatetracyclo[9.7.0.02,7.012,16]octadeca-1(11),2(7),5,12(16),13,17-hexaene-5-carboxylic acid?
6-hydroxy-15-methyl-14-(methylaminomethyl)-4-oxo-3,15-diazatetracyclo[9.7.0.02,7.012,16]octadeca-1(11),2(7),5,12(16),13,17-hexaene-5-carboxylic acid has a molecular weight of 367.41 g/mol, XLogP of 2.15, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-15-methyl-14-(methylaminomethyl)-4-oxo-3,15-diazatetracyclo[9.7.0.02,7.012,16]octadeca-1(11),2(7),5,12(16),13,17-hexaene-5-carboxylic acid is sourced from PubChem (CID 71284816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).