6-benzyl-N-(2-morpholin-4-ylethyl)-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide

C24H25N5O3 — CID 667210

IUPAC6-benzyl-N-(2-morpholin-4-ylethyl)-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
SMILESO=C(NCCN1CCOCC1)c1cc2c(=O)n3ccccc3nc2n1Cc1ccccc1
InChIInChI=1S/C24H25N5O3/c30-23(25-9-11-27-12-14-32-15-13-27)20-16-19-22(29(20)17-18-6-2-1-3-7-18)26-21-8-4-5-10-28(21)24(19)31/h1-8,10,16H,9,11-15,17H2,(H,25,30)
InChIKeyCWFMAHVSOBKHGW-UHFFFAOYSA-N
MW431.50 g/mol
LogP1.76
Rot. Bonds6

About 6-benzyl-N-(2-morpholin-4-ylethyl)-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide

6-benzyl-N-(2-morpholin-4-ylethyl)-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide (PubChem CID 667210) has the molecular formula C24H25N5O3 and a molecular weight of 431.50 g/mol. Its IUPAC name is 6-benzyl-N-(2-morpholin-4-ylethyl)-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide.

Molecular Properties

Compound Name6-benzyl-N-(2-morpholin-4-ylethyl)-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
PubChem CID667210
Molecular FormulaC24H25N5O3
Molecular Weight431.50 g/mol
Exact Mass431.20
IUPAC Name6-benzyl-N-(2-morpholin-4-ylethyl)-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
SMILESO=C(NCCN1CCOCC1)c1cc2c(=O)n3ccccc3nc2n1Cc1ccccc1
InChIInChI=1S/C24H25N5O3/c30-23(25-9-11-27-12-14-32-15-13-27)20-16-19-22(29(20)17-18-6-2-1-3-7-18)26-21-8-4-5-10-28(21)24(19)31/h1-8,10,16H,9,11-15,17H2,(H,25,30)
InChIKeyCWFMAHVSOBKHGW-UHFFFAOYSA-N
XLogP1.76
TPSA80.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-benzyl-N-(2-morpholin-4-ylethyl)-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-N-(2-morpholin-4-ylethyl)-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide?
The IUPAC name of 6-benzyl-N-(2-morpholin-4-ylethyl)-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide (CID 667210) is 6-benzyl-N-(2-morpholin-4-ylethyl)-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide.
What is the SMILES notation for 6-benzyl-N-(2-morpholin-4-ylethyl)-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide?
The canonical SMILES for 6-benzyl-N-(2-morpholin-4-ylethyl)-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide is O=C(NCCN1CCOCC1)c1cc2c(=O)n3ccccc3nc2n1Cc1ccccc1.
What is the InChIKey of 6-benzyl-N-(2-morpholin-4-ylethyl)-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide?
The InChIKey is CWFMAHVSOBKHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3/c30-23(25-9-11-27-12-14-32-15-13-27)20-16-19-22(29(20)17-18-6-2-1-3-7-18)26-21-8-4-5-10-28(21)24(19)31/h1-8,10,16H,9,11-15,17H2,(H,25,30).
What are the key properties of 6-benzyl-N-(2-morpholin-4-ylethyl)-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide?
6-benzyl-N-(2-morpholin-4-ylethyl)-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide has a molecular weight of 431.50 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-N-(2-morpholin-4-ylethyl)-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide is sourced from PubChem (CID 667210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).