N-(3,4-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 3682292

IUPACN-(3,4-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)cc1OC
InChIInChI=1S/C20H18N4O4/c1-23-14(19(25)21-12-7-8-15(27-2)16(10-12)28-3)11-13-18(23)22-17-6-4-5-9-24(17)20(13)26/h4-11H,1-3H3,(H,21,25)
InChIKeyJPFZBFDXUPANQP-UHFFFAOYSA-N
MW378.39 g/mol
LogP2.46
Rot. Bonds4

About N-(3,4-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-(3,4-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 3682292) has the molecular formula C20H18N4O4 and a molecular weight of 378.39 g/mol. Its IUPAC name is N-(3,4-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-(3,4-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 CID3682292
Molecular FormulaC20H18N4O4
Molecular Weight378.39 g/mol
Exact Mass378.13
IUPAC NameN-(3,4-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)cc1OC
InChIInChI=1S/C20H18N4O4/c1-23-14(19(25)21-12-7-8-15(27-2)16(10-12)28-3)11-13-18(23)22-17-6-4-5-9-24(17)20(13)26/h4-11H,1-3H3,(H,21,25)
InChIKeyJPFZBFDXUPANQP-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-(3,4-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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Related Compounds

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CID 135982344
N-(2-methoxy-5-methylphenyl)-1-methyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
CID 3379882
N-(benzo[d][1,3]dioxol-5-yl)-1-(3-methoxypropyl)-9-methyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
CID 4904445
N-(2H-1,3-benzodioxol-5-yl)-6-(3-methoxypropyl)-2-oxo-1,6,8-triazatricyclo[7.4.0.0^{3,7}]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
CID 4907473
N-(3,4-dimethoxyphenyl)-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide
CID 5307473
N-(3,4-dimethoxyphenyl)-2-ethyl-3-[methyl(3-methylbutyl)amino]imidazo[1,2-a]pyridine-6-carboxamide
CID 46948174
N-(2,4-dimethoxyphenyl)-1-methyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
CID 3682293
N-(3,4-dimethoxyphenyl)-2-ethyl-3-[methyl-(2-phenylacetyl)amino]imidazo[1,2-a]pyridine-6-carboxamide
CID 49792602
1-methyl-4-oxo-N-[4-(trifluoromethoxy)phenyl]-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
CID 3671151
N-(2,5-dimethoxyphenyl)-1,9-dimethyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
CID 4458417
8-Chloro-7-[2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-1,3-dimethylpurine-2,6-dione
CID 16388022
9-(3,4-dimethoxyphenyl)-8-oxo-2-(pentan-2-yl)-8,9-dihydro-7H-purine-6-carboxamide
CID 18582752

Frequently Asked Questions

What is the IUPAC name of N-(3,4-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-(3,4-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 3682292) is N-(3,4-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-(3,4-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-(3,4-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)cc1OC.
What is the InChIKey of N-(3,4-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 JPFZBFDXUPANQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O4/c1-23-14(19(25)21-12-7-8-15(27-2)16(10-12)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-(3,4-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-(3,4-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-(3,4-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 3682292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).