16-(ethylaminomethyl)-6-hydroxy-15-methyl-4-oxo-3,15-diazatetracyclo[10.7.0.02,7.014,18]nonadeca-1(12),2(7),5,13,16,18-hexaene-5-carboxylic acid

C22H25N3O4 — CID 71285194

IUPAC16-(ethylaminomethyl)-6-hydroxy-15-methyl-4-oxo-3,15-diazatetracyclo[10.7.0.02,7.014,18]nonadeca-1(12),2(7),5,13,16,18-hexaene-5-carboxylic acid
SMILESCCNCc1cc2cc3c(cc2n1C)CCCCc1c-3[nH]c(=O)c(C(=O)O)c1O
InChIInChI=1S/C22H25N3O4/c1-3-23-11-14-8-13-9-16-12(10-17(13)25(14)2)6-4-5-7-15-19(16)24-21(27)18(20(15)26)22(28)29/h8-10,23H,3-7,11H2,1-2H3,(H,28,29)(H2,24,26,27)
InChIKeyRKBFJPKMKIUIFA-UHFFFAOYSA-N
MW395.46 g/mol
LogP2.93
Rot. Bonds4

About 16-(ethylaminomethyl)-6-hydroxy-15-methyl-4-oxo-3,15-diazatetracyclo[10.7.0.02,7.014,18]nonadeca-1(12),2(7),5,13,16,18-hexaene-5-carboxylic acid

16-(ethylaminomethyl)-6-hydroxy-15-methyl-4-oxo-3,15-diazatetracyclo[10.7.0.02,7.014,18]nonadeca-1(12),2(7),5,13,16,18-hexaene-5-carboxylic acid (PubChem CID 71285194) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is 16-(ethylaminomethyl)-6-hydroxy-15-methyl-4-oxo-3,15-diazatetracyclo[10.7.0.02,7.014,18]nonadeca-1(12),2(7),5,13,16,18-hexaene-5-carboxylic acid.

Molecular Properties

Compound Name16-(ethylaminomethyl)-6-hydroxy-15-methyl-4-oxo-3,15-diazatetracyclo[10.7.0.02,7.014,18]nonadeca-1(12),2(7),5,13,16,18-hexaene-5-carboxylic acid
PubChem CID71285194
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Name16-(ethylaminomethyl)-6-hydroxy-15-methyl-4-oxo-3,15-diazatetracyclo[10.7.0.02,7.014,18]nonadeca-1(12),2(7),5,13,16,18-hexaene-5-carboxylic acid
SMILESCCNCc1cc2cc3c(cc2n1C)CCCCc1c-3[nH]c(=O)c(C(=O)O)c1O
InChIInChI=1S/C22H25N3O4/c1-3-23-11-14-8-13-9-16-12(10-17(13)25(14)2)6-4-5-7-15-19(16)24-21(27)18(20(15)26)22(28)29/h8-10,23H,3-7,11H2,1-2H3,(H,28,29)(H2,24,26,27)
InChIKeyRKBFJPKMKIUIFA-UHFFFAOYSA-N
XLogP2.93
TPSA107.35 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 16-(ethylaminomethyl)-6-hydroxy-15-methyl-4-oxo-3,15-diazatetracyclo[10.7.0.02,7.014,18]nonadeca-1(12),2(7),5,13,16,18-hexaene-5-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 16-(ethylaminomethyl)-6-hydroxy-15-methyl-4-oxo-3,15-diazatetracyclo[10.7.0.02,7.014,18]nonadeca-1(12),2(7),5,13,16,18-hexaene-5-carboxylic acid?
The IUPAC name of 16-(ethylaminomethyl)-6-hydroxy-15-methyl-4-oxo-3,15-diazatetracyclo[10.7.0.02,7.014,18]nonadeca-1(12),2(7),5,13,16,18-hexaene-5-carboxylic acid (CID 71285194) is 16-(ethylaminomethyl)-6-hydroxy-15-methyl-4-oxo-3,15-diazatetracyclo[10.7.0.02,7.014,18]nonadeca-1(12),2(7),5,13,16,18-hexaene-5-carboxylic acid.
What is the SMILES notation for 16-(ethylaminomethyl)-6-hydroxy-15-methyl-4-oxo-3,15-diazatetracyclo[10.7.0.02,7.014,18]nonadeca-1(12),2(7),5,13,16,18-hexaene-5-carboxylic acid?
The canonical SMILES for 16-(ethylaminomethyl)-6-hydroxy-15-methyl-4-oxo-3,15-diazatetracyclo[10.7.0.02,7.014,18]nonadeca-1(12),2(7),5,13,16,18-hexaene-5-carboxylic acid is CCNCc1cc2cc3c(cc2n1C)CCCCc1c-3[nH]c(=O)c(C(=O)O)c1O.
What is the InChIKey of 16-(ethylaminomethyl)-6-hydroxy-15-methyl-4-oxo-3,15-diazatetracyclo[10.7.0.02,7.014,18]nonadeca-1(12),2(7),5,13,16,18-hexaene-5-carboxylic acid?
The InChIKey is RKBFJPKMKIUIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-3-23-11-14-8-13-9-16-12(10-17(13)25(14)2)6-4-5-7-15-19(16)24-21(27)18(20(15)26)22(28)29/h8-10,23H,3-7,11H2,1-2H3,(H,28,29)(H2,24,26,27).
What are the key properties of 16-(ethylaminomethyl)-6-hydroxy-15-methyl-4-oxo-3,15-diazatetracyclo[10.7.0.02,7.014,18]nonadeca-1(12),2(7),5,13,16,18-hexaene-5-carboxylic acid?
16-(ethylaminomethyl)-6-hydroxy-15-methyl-4-oxo-3,15-diazatetracyclo[10.7.0.02,7.014,18]nonadeca-1(12),2(7),5,13,16,18-hexaene-5-carboxylic acid has a molecular weight of 395.46 g/mol, XLogP of 2.93, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 16-(ethylaminomethyl)-6-hydroxy-15-methyl-4-oxo-3,15-diazatetracyclo[10.7.0.02,7.014,18]nonadeca-1(12),2(7),5,13,16,18-hexaene-5-carboxylic acid is sourced from PubChem (CID 71285194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).