4-methyl-14-oxa-3-thia-7-azatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),2(6),4,7,9,11(15)-hexaene

C14H11NOS — CID 154720957

IUPAC4-methyl-14-oxa-3-thia-7-azatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),2(6),4,7,9,11(15)-hexaene
SMILESCc1cc2ncc3cc4c(cc3c2s1)OCC4
InChIInChI=1S/C14H11NOS/c1-8-4-12-14(17-8)11-6-13-9(2-3-16-13)5-10(11)7-15-12/h4-7H,2-3H2,1H3
InChIKeyCYTLHPRMSTUHQF-UHFFFAOYSA-N
MW241.31 g/mol
LogP3.69
Rot. Bonds

About 4-methyl-14-oxa-3-thia-7-azatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),2(6),4,7,9,11(15)-hexaene

4-methyl-14-oxa-3-thia-7-azatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),2(6),4,7,9,11(15)-hexaene (PubChem CID 154720957) has the molecular formula C14H11NOS and a molecular weight of 241.31 g/mol. Its IUPAC name is 4-methyl-14-oxa-3-thia-7-azatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),2(6),4,7,9,11(15)-hexaene.

Molecular Properties

Compound Name4-methyl-14-oxa-3-thia-7-azatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),2(6),4,7,9,11(15)-hexaene
PubChem CID154720957
Molecular FormulaC14H11NOS
Molecular Weight241.31 g/mol
Exact Mass241.06
IUPAC Name4-methyl-14-oxa-3-thia-7-azatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),2(6),4,7,9,11(15)-hexaene
SMILESCc1cc2ncc3cc4c(cc3c2s1)OCC4
InChIInChI=1S/C14H11NOS/c1-8-4-12-14(17-8)11-6-13-9(2-3-16-13)5-10(11)7-15-12/h4-7H,2-3H2,1H3
InChIKeyCYTLHPRMSTUHQF-UHFFFAOYSA-N
XLogP3.69
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-methyl-14-oxa-3-thia-7-azatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),2(6),4,7,9,11(15)-hexaene with MolForge

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Related Compounds

7-Methoxy-3-(3-thienyl)isoquinoline
CID 44142278
2-(2,3-Dihydro-1-benzofuran-7-yl)-[1,3]thiazolo[5,4-c]pyridine
CID 155534223
2-(9-Methoxy-5-methylphenanthridin-5-ium-2-yl)-1,3-benzothiazole chloride
CID 164618048
3-Iodo-2-(4-methoxyphenyl)thieno[3,2-b]pyridine
CID 71664873
6-Methoxy-2-phenylthieno[3,2-c]isoquinoline
CID 162412672
8-Methoxy-3-(thiophen-2-yl)-isoquinoline
CID 163359838
8-Methoxy-3-(5-methylthiophen-2-yl)-isoquinoline
CID 163359845
3-[3-(2-Methoxyphenyl)-5-(3-methylphenyl)thiophen-2-yl]isoquinoline
CID 166448440
3,4-Dimethoxy-[1]benzothiolo[3,2-c]isoquinoline
CID 176435881
9-(2,2-Difluoroethenyl)-8-methoxy-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline
CID 153905190
2-(9-Methoxy-5-methylphenanthridin-5-ium-2-yl)-1,3-benzothiazole
CID 164618049
1-(1,1,2,2-Tetramethylbenzo[e][1]benzofuran-4-yl)-7-(3,3,3-trifluoro-2,2-dimethylpropyl)-[1]benzothiolo[2,3-c]pyridine
CID 165167915

Frequently Asked Questions

What is the IUPAC name of 4-methyl-14-oxa-3-thia-7-azatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),2(6),4,7,9,11(15)-hexaene?
The IUPAC name of 4-methyl-14-oxa-3-thia-7-azatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),2(6),4,7,9,11(15)-hexaene (CID 154720957) is 4-methyl-14-oxa-3-thia-7-azatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),2(6),4,7,9,11(15)-hexaene.
What is the SMILES notation for 4-methyl-14-oxa-3-thia-7-azatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),2(6),4,7,9,11(15)-hexaene?
The canonical SMILES for 4-methyl-14-oxa-3-thia-7-azatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),2(6),4,7,9,11(15)-hexaene is Cc1cc2ncc3cc4c(cc3c2s1)OCC4.
What is the InChIKey of 4-methyl-14-oxa-3-thia-7-azatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),2(6),4,7,9,11(15)-hexaene?
The InChIKey is CYTLHPRMSTUHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NOS/c1-8-4-12-14(17-8)11-6-13-9(2-3-16-13)5-10(11)7-15-12/h4-7H,2-3H2,1H3.
What are the key properties of 4-methyl-14-oxa-3-thia-7-azatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),2(6),4,7,9,11(15)-hexaene?
4-methyl-14-oxa-3-thia-7-azatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),2(6),4,7,9,11(15)-hexaene has a molecular weight of 241.31 g/mol, XLogP of 3.69, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-14-oxa-3-thia-7-azatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),2(6),4,7,9,11(15)-hexaene is sourced from PubChem (CID 154720957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).