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

C20H18N4O4 — CID 3682293

IUPACN-(2,4-dimethoxyphenyl)-6-methyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3c(=O)n4ccccc4nc3n2C)c(OC)c1
InChIInChI=1S/C20H18N4O4/c1-23-15(19(25)21-14-8-7-12(27-2)10-16(14)28-3)11-13-18(23)22-17-6-4-5-9-24(17)20(13)26/h4-11H,1-3H3,(H,21,25)
InChIKeyRBDABGVVFIWROV-UHFFFAOYSA-N
MW378.39 g/mol
LogP2.46
Rot. Bonds4

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

N-(2,4-dimethoxyphenyl)-6-methyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide (PubChem CID 3682293) has the molecular formula C20H18N4O4 and a molecular weight of 378.39 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-6-methyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-6-methyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
PubChem CID3682293
Molecular FormulaC20H18N4O4
Molecular Weight378.39 g/mol
Exact Mass378.13
IUPAC NameN-(2,4-dimethoxyphenyl)-6-methyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3c(=O)n4ccccc4nc3n2C)c(OC)c1
InChIInChI=1S/C20H18N4O4/c1-23-15(19(25)21-14-8-7-12(27-2)10-16(14)28-3)11-13-18(23)22-17-6-4-5-9-24(17)20(13)26/h4-11H,1-3H3,(H,21,25)
InChIKeyRBDABGVVFIWROV-UHFFFAOYSA-N
XLogP2.46
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(2,4-dimethoxyphenyl)-6-methyl-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 N-(2,4-dimethoxyphenyl)-6-methyl-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 N-(2,4-dimethoxyphenyl)-6-methyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide (CID 3682293) is N-(2,4-dimethoxyphenyl)-6-methyl-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 N-(2,4-dimethoxyphenyl)-6-methyl-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 N-(2,4-dimethoxyphenyl)-6-methyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide is COc1ccc(NC(=O)c2cc3c(=O)n4ccccc4nc3n2C)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-6-methyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide?
The InChIKey is RBDABGVVFIWROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O4/c1-23-15(19(25)21-14-8-7-12(27-2)10-16(14)28-3)11-13-18(23)22-17-6-4-5-9-24(17)20(13)26/h4-11H,1-3H3,(H,21,25).
What are the key properties of N-(2,4-dimethoxyphenyl)-6-methyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide?
N-(2,4-dimethoxyphenyl)-6-methyl-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 378.39 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-6-methyl-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 3682293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).