10-methyl-12-(2-methylquinolin-8-yl)oxy-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene

C20H17N3OS — CID 675365

IUPAC10-methyl-12-(2-methylquinolin-8-yl)oxy-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene
SMILESCc1ccc2cccc(Oc3nc(C)nc4sc5c(c34)CCC5)c2n1
InChIInChI=1S/C20H17N3OS/c1-11-9-10-13-5-3-7-15(18(13)21-11)24-19-17-14-6-4-8-16(14)25-20(17)23-12(2)22-19/h3,5,7,9-10H,4,6,8H2,1-2H3
InChIKeyUPCDHPKIJGRPCC-UHFFFAOYSA-N
MW347.44 g/mol
LogP5.14
Rot. Bonds2

About 10-methyl-12-(2-methylquinolin-8-yl)oxy-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene

10-methyl-12-(2-methylquinolin-8-yl)oxy-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene (PubChem CID 675365) has the molecular formula C20H17N3OS and a molecular weight of 347.44 g/mol. Its IUPAC name is 10-methyl-12-(2-methylquinolin-8-yl)oxy-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene.

Molecular Properties

Compound Name10-methyl-12-(2-methylquinolin-8-yl)oxy-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene
PubChem CID675365
Molecular FormulaC20H17N3OS
Molecular Weight347.44 g/mol
Exact Mass347.11
IUPAC Name10-methyl-12-(2-methylquinolin-8-yl)oxy-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene
SMILESCc1ccc2cccc(Oc3nc(C)nc4sc5c(c34)CCC5)c2n1
InChIInChI=1S/C20H17N3OS/c1-11-9-10-13-5-3-7-15(18(13)21-11)24-19-17-14-6-4-8-16(14)25-20(17)23-12(2)22-19/h3,5,7,9-10H,4,6,8H2,1-2H3
InChIKeyUPCDHPKIJGRPCC-UHFFFAOYSA-N
XLogP5.14
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.44
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 10-methyl-12-(2-methylquinolin-8-yl)oxy-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene?
The IUPAC name of 10-methyl-12-(2-methylquinolin-8-yl)oxy-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene (CID 675365) is 10-methyl-12-(2-methylquinolin-8-yl)oxy-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene.
What is the SMILES notation for 10-methyl-12-(2-methylquinolin-8-yl)oxy-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene?
The canonical SMILES for 10-methyl-12-(2-methylquinolin-8-yl)oxy-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene is Cc1ccc2cccc(Oc3nc(C)nc4sc5c(c34)CCC5)c2n1.
What is the InChIKey of 10-methyl-12-(2-methylquinolin-8-yl)oxy-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene?
The InChIKey is UPCDHPKIJGRPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3OS/c1-11-9-10-13-5-3-7-15(18(13)21-11)24-19-17-14-6-4-8-16(14)25-20(17)23-12(2)22-19/h3,5,7,9-10H,4,6,8H2,1-2H3.
What are the key properties of 10-methyl-12-(2-methylquinolin-8-yl)oxy-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene?
10-methyl-12-(2-methylquinolin-8-yl)oxy-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene has a molecular weight of 347.44 g/mol, XLogP of 5.14, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-12-(2-methylquinolin-8-yl)oxy-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene is sourced from PubChem (CID 675365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).