15-hydroxy-18-thia-2,9-diazatetracyclo[9.7.0.03,9.012,17]octadeca-1(11),2,12(17)-trien-16-one

C15H18N2O2S — CID 90752520

IUPAC15-hydroxy-18-thia-2,9-diazatetracyclo[9.7.0.03,9.012,17]octadeca-1(11),2,12(17)-trien-16-one
SMILESO=C1c2sc3c(c2CCC1O)CN1CCCCCC1=N3
InChIInChI=1S/C15H18N2O2S/c18-11-6-5-9-10-8-17-7-3-1-2-4-12(17)16-15(10)20-14(9)13(11)19/h11,18H,1-8H2
InChIKeyBCUOWSSJDLAVHY-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.66
Rot. Bonds

About 15-hydroxy-18-thia-2,9-diazatetracyclo[9.7.0.03,9.012,17]octadeca-1(11),2,12(17)-trien-16-one

15-hydroxy-18-thia-2,9-diazatetracyclo[9.7.0.03,9.012,17]octadeca-1(11),2,12(17)-trien-16-one (PubChem CID 90752520) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 15-hydroxy-18-thia-2,9-diazatetracyclo[9.7.0.03,9.012,17]octadeca-1(11),2,12(17)-trien-16-one.

Molecular Properties

Compound Name15-hydroxy-18-thia-2,9-diazatetracyclo[9.7.0.03,9.012,17]octadeca-1(11),2,12(17)-trien-16-one
PubChem CID90752520
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name15-hydroxy-18-thia-2,9-diazatetracyclo[9.7.0.03,9.012,17]octadeca-1(11),2,12(17)-trien-16-one
SMILESO=C1c2sc3c(c2CCC1O)CN1CCCCCC1=N3
InChIInChI=1S/C15H18N2O2S/c18-11-6-5-9-10-8-17-7-3-1-2-4-12(17)16-15(10)20-14(9)13(11)19/h11,18H,1-8H2
InChIKeyBCUOWSSJDLAVHY-UHFFFAOYSA-N
XLogP2.66
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 15-hydroxy-18-thia-2,9-diazatetracyclo[9.7.0.03,9.012,17]octadeca-1(11),2,12(17)-trien-16-one with MolForge

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Related Compounds

6-methyl-18-thia-2,9-diazatetracyclo[9.7.0.03,9.012,17]octadeca-1(11),2,12(17)-trien-16-one
CID 91098982
3,5,6,7,8,9,10,11-octahydroimidazo[1,2-a]azonin-2-one
CID 90226489
8-thia-10,15-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),10-trien-3-one
CID 618838
1-chloro-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline
CID 18992823
6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline
CID 10241903
1,2,3,5,6,7,8,9-octahydropyrrolo[2,1-b]quinazoline
CID 24870779
6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carbohydrazide
CID 140735901
1-bromo-3-fluoro-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline
CID 18992740
1-fluoro-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline
CID 18992546
3-hydroxycyclodecane-1,2-dione
CID 130126471
1-chloro-2,3-dimethoxy-4-methyl-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline
CID 18992574
1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-6-ol
CID 130034310

Frequently Asked Questions

What is the IUPAC name of 15-hydroxy-18-thia-2,9-diazatetracyclo[9.7.0.03,9.012,17]octadeca-1(11),2,12(17)-trien-16-one?
The IUPAC name of 15-hydroxy-18-thia-2,9-diazatetracyclo[9.7.0.03,9.012,17]octadeca-1(11),2,12(17)-trien-16-one (CID 90752520) is 15-hydroxy-18-thia-2,9-diazatetracyclo[9.7.0.03,9.012,17]octadeca-1(11),2,12(17)-trien-16-one.
What is the SMILES notation for 15-hydroxy-18-thia-2,9-diazatetracyclo[9.7.0.03,9.012,17]octadeca-1(11),2,12(17)-trien-16-one?
The canonical SMILES for 15-hydroxy-18-thia-2,9-diazatetracyclo[9.7.0.03,9.012,17]octadeca-1(11),2,12(17)-trien-16-one is O=C1c2sc3c(c2CCC1O)CN1CCCCCC1=N3.
What is the InChIKey of 15-hydroxy-18-thia-2,9-diazatetracyclo[9.7.0.03,9.012,17]octadeca-1(11),2,12(17)-trien-16-one?
The InChIKey is BCUOWSSJDLAVHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c18-11-6-5-9-10-8-17-7-3-1-2-4-12(17)16-15(10)20-14(9)13(11)19/h11,18H,1-8H2.
What are the key properties of 15-hydroxy-18-thia-2,9-diazatetracyclo[9.7.0.03,9.012,17]octadeca-1(11),2,12(17)-trien-16-one?
15-hydroxy-18-thia-2,9-diazatetracyclo[9.7.0.03,9.012,17]octadeca-1(11),2,12(17)-trien-16-one has a molecular weight of 290.39 g/mol, XLogP of 2.66, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 15-hydroxy-18-thia-2,9-diazatetracyclo[9.7.0.03,9.012,17]octadeca-1(11),2,12(17)-trien-16-one is sourced from PubChem (CID 90752520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).