14-methoxy-6-methyl-2-thia-4,5,7,8,18-pentazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),3,5,8,11,13,15,17-octaene

C14H11N5OS — CID 11022869

IUPAC14-methoxy-6-methyl-2-thia-4,5,7,8,18-pentazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),3,5,8,11,13,15,17-octaene
SMILESCOc1ccc2nc3c(cc2c1)C=Nn1c(C)nnc1S3
InChIInChI=1S/C14H11N5OS/c1-8-17-18-14-19(8)15-7-10-5-9-6-11(20-2)3-4-12(9)16-13(10)21-14/h3-7H,1-2H3
InChIKeyGYYJSINMMMIJRZ-UHFFFAOYSA-N
MW297.34 g/mol
LogP2.49
Rot. Bonds1

About 14-methoxy-6-methyl-2-thia-4,5,7,8,18-pentazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),3,5,8,11,13,15,17-octaene

14-methoxy-6-methyl-2-thia-4,5,7,8,18-pentazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),3,5,8,11,13,15,17-octaene (PubChem CID 11022869) has the molecular formula C14H11N5OS and a molecular weight of 297.34 g/mol. Its IUPAC name is 14-methoxy-6-methyl-2-thia-4,5,7,8,18-pentazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),3,5,8,11,13,15,17-octaene.

Molecular Properties

Compound Name14-methoxy-6-methyl-2-thia-4,5,7,8,18-pentazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),3,5,8,11,13,15,17-octaene
PubChem CID11022869
Molecular FormulaC14H11N5OS
Molecular Weight297.34 g/mol
Exact Mass297.07
IUPAC Name14-methoxy-6-methyl-2-thia-4,5,7,8,18-pentazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),3,5,8,11,13,15,17-octaene
SMILESCOc1ccc2nc3c(cc2c1)C=Nn1c(C)nnc1S3
InChIInChI=1S/C14H11N5OS/c1-8-17-18-14-19(8)15-7-10-5-9-6-11(20-2)3-4-12(9)16-13(10)21-14/h3-7H,1-2H3
InChIKeyGYYJSINMMMIJRZ-UHFFFAOYSA-N
XLogP2.49
TPSA65.19 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 14-methoxy-6-methyl-2-thia-4,5,7,8,18-pentazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),3,5,8,11,13,15,17-octaene with MolForge

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Related Compounds

14-methoxy-6-propyl-2-thia-4,5,7,8,18-pentazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),3,5,8,11,13,15,17-octaene
CID 11034722
14-methyl-6-propyl-2-thia-4,5,7,8,18-pentazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),3,5,8,11,13,15,17-octaene
CID 11001368
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CID 58871203
6-methoxy-2-(3-methoxy-5-methylphenyl)-3-methylquinoline
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6-methoxy-2-(2,3,5-trimethylphenyl)quinoline
CID 58871166
3-bromo-6-methoxyquinoline-2-carboxamide
CID 173087075
8-methoxy-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridine
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CID 63232081
2-(3,5-dimethylphenyl)-6-methoxyquinoline
CID 58871188
(6-methoxyquinolin-3-yl)carbamic acid
CID 22326813

Frequently Asked Questions

What is the IUPAC name of 14-methoxy-6-methyl-2-thia-4,5,7,8,18-pentazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),3,5,8,11,13,15,17-octaene?
The IUPAC name of 14-methoxy-6-methyl-2-thia-4,5,7,8,18-pentazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),3,5,8,11,13,15,17-octaene (CID 11022869) is 14-methoxy-6-methyl-2-thia-4,5,7,8,18-pentazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),3,5,8,11,13,15,17-octaene.
What is the SMILES notation for 14-methoxy-6-methyl-2-thia-4,5,7,8,18-pentazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),3,5,8,11,13,15,17-octaene?
The canonical SMILES for 14-methoxy-6-methyl-2-thia-4,5,7,8,18-pentazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),3,5,8,11,13,15,17-octaene is COc1ccc2nc3c(cc2c1)C=Nn1c(C)nnc1S3.
What is the InChIKey of 14-methoxy-6-methyl-2-thia-4,5,7,8,18-pentazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),3,5,8,11,13,15,17-octaene?
The InChIKey is GYYJSINMMMIJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5OS/c1-8-17-18-14-19(8)15-7-10-5-9-6-11(20-2)3-4-12(9)16-13(10)21-14/h3-7H,1-2H3.
What are the key properties of 14-methoxy-6-methyl-2-thia-4,5,7,8,18-pentazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),3,5,8,11,13,15,17-octaene?
14-methoxy-6-methyl-2-thia-4,5,7,8,18-pentazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),3,5,8,11,13,15,17-octaene has a molecular weight of 297.34 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 14-methoxy-6-methyl-2-thia-4,5,7,8,18-pentazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),3,5,8,11,13,15,17-octaene is sourced from PubChem (CID 11022869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).