9-ethyl-9-methyl-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-11-one

C17H18N2OS — CID 2905156

IUPAC9-ethyl-9-methyl-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-11-one
SMILESCCC1(C)Cc2ccccc2-c2nc3n(c(=O)c21)CCS3
InChIInChI=1S/C17H18N2OS/c1-3-17(2)10-11-6-4-5-7-12(11)14-13(17)15(20)19-8-9-21-16(19)18-14/h4-7H,3,8-10H2,1-2H3
InChIKeyZWROVZPVASISBO-UHFFFAOYSA-N
MW298.41 g/mol
LogP3.24
Rot. Bonds1

About 9-ethyl-9-methyl-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-11-one

9-ethyl-9-methyl-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-11-one (PubChem CID 2905156) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is 9-ethyl-9-methyl-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-11-one.

Molecular Properties

Compound Name9-ethyl-9-methyl-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-11-one
PubChem CID2905156
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC Name9-ethyl-9-methyl-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-11-one
SMILESCCC1(C)Cc2ccccc2-c2nc3n(c(=O)c21)CCS3
InChIInChI=1S/C17H18N2OS/c1-3-17(2)10-11-6-4-5-7-12(11)14-13(17)15(20)19-8-9-21-16(19)18-14/h4-7H,3,8-10H2,1-2H3
InChIKeyZWROVZPVASISBO-UHFFFAOYSA-N
XLogP3.24
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-ethyl-9-methyl-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-11-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6,6-dimethyl-5,6,10,11-tetrahydro-7H,9H-benzo[h][1,3]thiazino[2,3-b]quinazolin-7-one
CID 760966
7-(4-tert-Butylphenyl)-5-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonitrile
CID 626649
2-(butylthio)-3-phenethyl-3H-spiro[benzo[h]quinazoline-5,1''-cyclopentan]-4(6H)-one
CID 1602258
Ethyl 7-oxo-5,7,9,10-tetrahydrospiro[benzo[h][1,3]thiazolo[2,3-b]quinazoline-6,1'-cyclopentane]-10-carboxylate
CID 2876018
ST51039832
CID 2885748
6,6-dimethyl-5,6,9,10-tetrahydro-7H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-7-one
CID 767493
3-allyl-2-(benzylsulfanyl)-5,6-dihydrospiro(benzo[h]quinazoline-5,1'-cyclohexane)-4(3H)-one
CID 1581910
Ccg-2979
CID 1602323
Spiro(benzo(h)quinazoline-5(3H),1'-cyclohexan)-4(6H)-one, 2-(ethylthio)-3-methyl-
CID 690268
Spiro(benzo(h)quinazoline-5(3H),1'-cyclohexan)-4(6H)-one, 3-methyl-2-((phenylmethyl)thio)-
CID 560925
Acetic acid, ((4,6-dihydro-4-oxo-3-(phenylmethyl)spiro(benzo(h)quinazoline-5(3H),1'-cyclohexan)-2-yl)thio)-, ethyl ester
CID 2306034
2-((4-oxo-3-propyl-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)thio)acetonitrile
CID 661738

Frequently Asked Questions

What is the IUPAC name of 9-ethyl-9-methyl-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-11-one?
The IUPAC name of 9-ethyl-9-methyl-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-11-one (CID 2905156) is 9-ethyl-9-methyl-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-11-one.
What is the SMILES notation for 9-ethyl-9-methyl-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-11-one?
The canonical SMILES for 9-ethyl-9-methyl-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-11-one is CCC1(C)Cc2ccccc2-c2nc3n(c(=O)c21)CCS3.
What is the InChIKey of 9-ethyl-9-methyl-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-11-one?
The InChIKey is ZWROVZPVASISBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS/c1-3-17(2)10-11-6-4-5-7-12(11)14-13(17)15(20)19-8-9-21-16(19)18-14/h4-7H,3,8-10H2,1-2H3.
What are the key properties of 9-ethyl-9-methyl-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-11-one?
9-ethyl-9-methyl-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-11-one has a molecular weight of 298.41 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-9-methyl-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-11-one is sourced from PubChem (CID 2905156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).