10-[(3-methoxyphenyl)methyl]-4-methyl-9-oxo-3-thia-6,10,11-triazatricyclo[6.4.0.02,6]dodeca-1,4,7,11-tetraene-7-carboxamide

C18H16N4O3S — CID 154681897

IUPAC10-[(3-methoxyphenyl)methyl]-4-methyl-9-oxo-3-thia-6,10,11-triazatricyclo[6.4.0.02,6]dodeca-1,4,7,11-tetraene-7-carboxamide
SMILESCOc1cccc(Cn2ncc3c(c(C(N)=O)n4cc(C)sc34)c2=O)c1
InChIInChI=1S/C18H16N4O3S/c1-10-8-21-15(16(19)23)14-13(18(21)26-10)7-20-22(17(14)24)9-11-4-3-5-12(6-11)25-2/h3-8H,9H2,1-2H3,(H2,19,23)
InChIKeyUYIJATRBUVEAFR-UHFFFAOYSA-N
MW368.42 g/mol
LogP2.17
Rot. Bonds4

About 10-[(3-methoxyphenyl)methyl]-4-methyl-9-oxo-3-thia-6,10,11-triazatricyclo[6.4.0.02,6]dodeca-1,4,7,11-tetraene-7-carboxamide

10-[(3-methoxyphenyl)methyl]-4-methyl-9-oxo-3-thia-6,10,11-triazatricyclo[6.4.0.02,6]dodeca-1,4,7,11-tetraene-7-carboxamide (PubChem CID 154681897) has the molecular formula C18H16N4O3S and a molecular weight of 368.42 g/mol. Its IUPAC name is 10-[(3-methoxyphenyl)methyl]-4-methyl-9-oxo-3-thia-6,10,11-triazatricyclo[6.4.0.02,6]dodeca-1,4,7,11-tetraene-7-carboxamide.

Molecular Properties

Compound Name10-[(3-methoxyphenyl)methyl]-4-methyl-9-oxo-3-thia-6,10,11-triazatricyclo[6.4.0.02,6]dodeca-1,4,7,11-tetraene-7-carboxamide
PubChem CID154681897
Molecular FormulaC18H16N4O3S
Molecular Weight368.42 g/mol
Exact Mass368.09
IUPAC Name10-[(3-methoxyphenyl)methyl]-4-methyl-9-oxo-3-thia-6,10,11-triazatricyclo[6.4.0.02,6]dodeca-1,4,7,11-tetraene-7-carboxamide
SMILESCOc1cccc(Cn2ncc3c(c(C(N)=O)n4cc(C)sc34)c2=O)c1
InChIInChI=1S/C18H16N4O3S/c1-10-8-21-15(16(19)23)14-13(18(21)26-10)7-20-22(17(14)24)9-11-4-3-5-12(6-11)25-2/h3-8H,9H2,1-2H3,(H2,19,23)
InChIKeyUYIJATRBUVEAFR-UHFFFAOYSA-N
XLogP2.17
TPSA91.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 10-[(3-methoxyphenyl)methyl]-4-methyl-9-oxo-3-thia-6,10,11-triazatricyclo[6.4.0.02,6]dodeca-1,4,7,11-tetraene-7-carboxamide with MolForge

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Related Compounds

3-[(3-methoxyphenyl)methyl]-5,9-dimethylpyridazino[4,5-b]indol-4-one
CID 154681916
4,5-dibromo-2-[(3-methoxyphenyl)methyl]pyridazin-3-one
CID 115576901
10-[(3-methoxyphenyl)methyl]-4,7-dimethyl-3-thia-1,5,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-2(6),4,7,11-tetraen-9-one
CID 154681883
4-bromo-10-[(3-methoxyphenyl)methyl]-7-methyl-3-thia-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one
CID 44543602
ethyl 1-[(3-methoxyphenyl)methyl]tetrazole-5-carboxylate
CID 79317603
10-[(3-methoxyphenyl)methyl]-7-methyl-4-[(R)-methylsulfinyl]-3-thia-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one
CID 93473084
3-[(3-methoxyphenyl)methyl]-4-oxoquinazoline-2-carboxamide
CID 68724550
4-chloro-1-[(3-methoxyphenyl)methyl]pyrazolo[5,4-d]pyrimidin-6-amine
CID 22015510
ethyl 5-(chloromethyl)-1-[(3-methoxyphenyl)methyl]triazole-4-carboxylate
CID 103109114
3-[(3-methoxyphenyl)methyl]-5-methyl-8-(trifluoromethyl)pyridazino[4,5-b]indol-4-one
CID 154681762
7-(4-fluorophenyl)-3-[(3-methoxyphenyl)methyl]pyrazolo[5,4-d]triazin-4-one
CID 1444398
N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide
CID 95073124

Frequently Asked Questions

What is the IUPAC name of 10-[(3-methoxyphenyl)methyl]-4-methyl-9-oxo-3-thia-6,10,11-triazatricyclo[6.4.0.02,6]dodeca-1,4,7,11-tetraene-7-carboxamide?
The IUPAC name of 10-[(3-methoxyphenyl)methyl]-4-methyl-9-oxo-3-thia-6,10,11-triazatricyclo[6.4.0.02,6]dodeca-1,4,7,11-tetraene-7-carboxamide (CID 154681897) is 10-[(3-methoxyphenyl)methyl]-4-methyl-9-oxo-3-thia-6,10,11-triazatricyclo[6.4.0.02,6]dodeca-1,4,7,11-tetraene-7-carboxamide.
What is the SMILES notation for 10-[(3-methoxyphenyl)methyl]-4-methyl-9-oxo-3-thia-6,10,11-triazatricyclo[6.4.0.02,6]dodeca-1,4,7,11-tetraene-7-carboxamide?
The canonical SMILES for 10-[(3-methoxyphenyl)methyl]-4-methyl-9-oxo-3-thia-6,10,11-triazatricyclo[6.4.0.02,6]dodeca-1,4,7,11-tetraene-7-carboxamide is COc1cccc(Cn2ncc3c(c(C(N)=O)n4cc(C)sc34)c2=O)c1.
What is the InChIKey of 10-[(3-methoxyphenyl)methyl]-4-methyl-9-oxo-3-thia-6,10,11-triazatricyclo[6.4.0.02,6]dodeca-1,4,7,11-tetraene-7-carboxamide?
The InChIKey is UYIJATRBUVEAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3S/c1-10-8-21-15(16(19)23)14-13(18(21)26-10)7-20-22(17(14)24)9-11-4-3-5-12(6-11)25-2/h3-8H,9H2,1-2H3,(H2,19,23).
What are the key properties of 10-[(3-methoxyphenyl)methyl]-4-methyl-9-oxo-3-thia-6,10,11-triazatricyclo[6.4.0.02,6]dodeca-1,4,7,11-tetraene-7-carboxamide?
10-[(3-methoxyphenyl)methyl]-4-methyl-9-oxo-3-thia-6,10,11-triazatricyclo[6.4.0.02,6]dodeca-1,4,7,11-tetraene-7-carboxamide has a molecular weight of 368.42 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(3-methoxyphenyl)methyl]-4-methyl-9-oxo-3-thia-6,10,11-triazatricyclo[6.4.0.02,6]dodeca-1,4,7,11-tetraene-7-carboxamide is sourced from PubChem (CID 154681897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).