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

C20H18N4O3 — CID 3379882

IUPACN-(2-methoxy-5-methylphenyl)-6-methyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1cc2c(=O)n3ccccc3nc2n1C
InChIInChI=1S/C20H18N4O3/c1-12-7-8-16(27-3)14(10-12)21-19(25)15-11-13-18(23(15)2)22-17-6-4-5-9-24(17)20(13)26/h4-11H,1-3H3,(H,21,25)
InChIKeyXSAAZZOKFFSLBT-UHFFFAOYSA-N
MW362.39 g/mol
LogP2.76
Rot. Bonds3

About N-(2-methoxy-5-methylphenyl)-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-methoxy-5-methylphenyl)-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 3379882) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-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-methoxy-5-methylphenyl)-6-methyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
PubChem CID3379882
Molecular FormulaC20H18N4O3
Molecular Weight362.39 g/mol
Exact Mass362.14
IUPAC NameN-(2-methoxy-5-methylphenyl)-6-methyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1cc2c(=O)n3ccccc3nc2n1C
InChIInChI=1S/C20H18N4O3/c1-12-7-8-16(27-3)14(10-12)21-19(25)15-11-13-18(23(15)2)22-17-6-4-5-9-24(17)20(13)26/h4-11H,1-3H3,(H,21,25)
InChIKeyXSAAZZOKFFSLBT-UHFFFAOYSA-N
XLogP2.76
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-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-methoxy-5-methylphenyl)-6-methyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide (CID 3379882) is N-(2-methoxy-5-methylphenyl)-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-methoxy-5-methylphenyl)-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-methoxy-5-methylphenyl)-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(C)cc1NC(=O)c1cc2c(=O)n3ccccc3nc2n1C.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-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 XSAAZZOKFFSLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3/c1-12-7-8-16(27-3)14(10-12)21-19(25)15-11-13-18(23(15)2)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-methoxy-5-methylphenyl)-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-methoxy-5-methylphenyl)-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 362.39 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-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 3379882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).