9-methyl-6-thia-9,17-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(17),10(18),11,13,15-pentaen-8-one

C16H16N2OS — CID 54329643

IUPAC9-methyl-6-thia-9,17-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(17),10(18),11,13,15-pentaen-8-one
SMILESCN1C(=O)CSC2CCCc3nc4ccccc4c1c32
InChIInChI=1S/C16H16N2OS/c1-18-14(19)9-20-13-8-4-7-12-15(13)16(18)10-5-2-3-6-11(10)17-12/h2-3,5-6,13H,4,7-9H2,1H3
InChIKeySXKYWRHQMONTHK-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.32
Rot. Bonds

About 9-methyl-6-thia-9,17-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(17),10(18),11,13,15-pentaen-8-one

9-methyl-6-thia-9,17-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(17),10(18),11,13,15-pentaen-8-one (PubChem CID 54329643) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is 9-methyl-6-thia-9,17-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(17),10(18),11,13,15-pentaen-8-one.

Molecular Properties

Compound Name9-methyl-6-thia-9,17-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(17),10(18),11,13,15-pentaen-8-one
PubChem CID54329643
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC Name9-methyl-6-thia-9,17-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(17),10(18),11,13,15-pentaen-8-one
SMILESCN1C(=O)CSC2CCCc3nc4ccccc4c1c32
InChIInChI=1S/C16H16N2OS/c1-18-14(19)9-20-13-8-4-7-12-15(13)16(18)10-5-2-3-6-11(10)17-12/h2-3,5-6,13H,4,7-9H2,1H3
InChIKeySXKYWRHQMONTHK-UHFFFAOYSA-N
XLogP3.32
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9-methyl-6-thia-9,17-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(17),10(18),11,13,15-pentaen-8-one with MolForge

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Related Compounds

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CID 154234799
10-chloro-4-methyl-[1,4]thiazino[3,2-b]quinolin-3-one
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4-methyl-2,3-dihydro-[1,3,4]thiadiazino[2,3-b]quinazolin-6-one
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N-(9-amino-1,2,3,4-tetrahydroacridin-1-yl)hexanamide
CID 14536422
1-pyridin-3-yl-1,2,3,4-tetrahydroacridin-9-amine
CID 175776950
1-[1-(3-ethyl-2-methylquinolin-4-yl)piperidin-4-yl]pyrrolidin-2-one
CID 138042688
3-methylidene-[1,3]thiazolo[2,3-b]quinazolin-5-one
CID 1479805
9-(4-pyrimidin-2-ylpiperazin-1-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline
CID 110433935
9-(benzylamino)-1,2,3,4-tetrahydroacridin-1-ol;9-[2-(dimethylamino)ethyl]-1,2,3,4-tetrahydroacridin-1-amine
CID 158455215
2-methyl-3,4-dihydro-2H-thiopyrano[3,2-b]quinolin-10-amine
CID 57098793
9-(hydroxyamino)-3,4-dihydro-2H-acridin-1-one
CID 54496209

Frequently Asked Questions

What is the IUPAC name of 9-methyl-6-thia-9,17-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(17),10(18),11,13,15-pentaen-8-one?
The IUPAC name of 9-methyl-6-thia-9,17-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(17),10(18),11,13,15-pentaen-8-one (CID 54329643) is 9-methyl-6-thia-9,17-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(17),10(18),11,13,15-pentaen-8-one.
What is the SMILES notation for 9-methyl-6-thia-9,17-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(17),10(18),11,13,15-pentaen-8-one?
The canonical SMILES for 9-methyl-6-thia-9,17-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(17),10(18),11,13,15-pentaen-8-one is CN1C(=O)CSC2CCCc3nc4ccccc4c1c32.
What is the InChIKey of 9-methyl-6-thia-9,17-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(17),10(18),11,13,15-pentaen-8-one?
The InChIKey is SXKYWRHQMONTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c1-18-14(19)9-20-13-8-4-7-12-15(13)16(18)10-5-2-3-6-11(10)17-12/h2-3,5-6,13H,4,7-9H2,1H3.
What are the key properties of 9-methyl-6-thia-9,17-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(17),10(18),11,13,15-pentaen-8-one?
9-methyl-6-thia-9,17-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(17),10(18),11,13,15-pentaen-8-one has a molecular weight of 284.38 g/mol, XLogP of 3.32, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-6-thia-9,17-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(17),10(18),11,13,15-pentaen-8-one is sourced from PubChem (CID 54329643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).