13-methoxy-5-(3-methoxyphenyl)-8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one

C18H14N2O3S — CID 57397023

IUPAC13-methoxy-5-(3-methoxyphenyl)-8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
SMILESCOc1cccc(-n2ccc3c(sc4nccc(OC)c43)c2=O)c1
InChIInChI=1S/C18H14N2O3S/c1-22-12-5-3-4-11(10-12)20-9-7-13-15-14(23-2)6-8-19-17(15)24-16(13)18(20)21/h3-10H,1-2H3
InChIKeyXVDOLQADSKHXGB-UHFFFAOYSA-N
MW338.39 g/mol
LogP3.62
Rot. Bonds3

About 13-methoxy-5-(3-methoxyphenyl)-8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one

13-methoxy-5-(3-methoxyphenyl)-8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one (PubChem CID 57397023) has the molecular formula C18H14N2O3S and a molecular weight of 338.39 g/mol. Its IUPAC name is 13-methoxy-5-(3-methoxyphenyl)-8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one.

Molecular Properties

Compound Name13-methoxy-5-(3-methoxyphenyl)-8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
PubChem CID57397023
Molecular FormulaC18H14N2O3S
Molecular Weight338.39 g/mol
Exact Mass338.07
IUPAC Name13-methoxy-5-(3-methoxyphenyl)-8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
SMILESCOc1cccc(-n2ccc3c(sc4nccc(OC)c43)c2=O)c1
InChIInChI=1S/C18H14N2O3S/c1-22-12-5-3-4-11(10-12)20-9-7-13-15-14(23-2)6-8-19-17(15)24-16(13)18(20)21/h3-10H,1-2H3
InChIKeyXVDOLQADSKHXGB-UHFFFAOYSA-N
XLogP3.62
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 13-methoxy-5-(3-methoxyphenyl)-8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one with MolForge

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Related Compounds

CID 16118119
CID 16118119
CID 16118537
CID 16118537
CID 1208332
CID 1208332
CID 16117042
CID 16117042
CID 16117046
CID 16117046
CID 16117300
CID 16117300
CID 16117303
CID 16117303
CID 16118126
CID 16118126
CID 16118256
CID 16118256
CID 16118536
CID 16118536
CID 16118539
CID 16118539
CID 16118682
CID 16118682

Frequently Asked Questions

What is the IUPAC name of 13-methoxy-5-(3-methoxyphenyl)-8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one?
The IUPAC name of 13-methoxy-5-(3-methoxyphenyl)-8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one (CID 57397023) is 13-methoxy-5-(3-methoxyphenyl)-8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one.
What is the SMILES notation for 13-methoxy-5-(3-methoxyphenyl)-8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one?
The canonical SMILES for 13-methoxy-5-(3-methoxyphenyl)-8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one is COc1cccc(-n2ccc3c(sc4nccc(OC)c43)c2=O)c1.
What is the InChIKey of 13-methoxy-5-(3-methoxyphenyl)-8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one?
The InChIKey is XVDOLQADSKHXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O3S/c1-22-12-5-3-4-11(10-12)20-9-7-13-15-14(23-2)6-8-19-17(15)24-16(13)18(20)21/h3-10H,1-2H3.
What are the key properties of 13-methoxy-5-(3-methoxyphenyl)-8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one?
13-methoxy-5-(3-methoxyphenyl)-8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one has a molecular weight of 338.39 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 13-methoxy-5-(3-methoxyphenyl)-8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one is sourced from PubChem (CID 57397023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).