1,6',6'-trimethylspiro[2H-indole-3,9'-5,7-dihydro-4H-[1,3]thiazolo[4,5-b]quinoline]-8'-one

C20H21N3OS — CID 152802138

IUPAC1,6',6'-trimethylspiro[2H-indole-3,9'-5,7-dihydro-4H-[1,3]thiazolo[4,5-b]quinoline]-8'-one
SMILESCN1CC2(C3=C(CC(C)(C)CC3=O)Nc3ncsc32)c2ccccc21
InChIInChI=1S/C20H21N3OS/c1-19(2)8-13-16(15(24)9-19)20(17-18(22-13)21-11-25-17)10-23(3)14-7-5-4-6-12(14)20/h4-7,11,22H,8-10H2,1-3H3
InChIKeySOFOQTJJYCSHDC-UHFFFAOYSA-N
MW351.47 g/mol
LogP3.95
Rot. Bonds

About 1,6',6'-trimethylspiro[2H-indole-3,9'-5,7-dihydro-4H-[1,3]thiazolo[4,5-b]quinoline]-8'-one

1,6',6'-trimethylspiro[2H-indole-3,9'-5,7-dihydro-4H-[1,3]thiazolo[4,5-b]quinoline]-8'-one (PubChem CID 152802138) has the molecular formula C20H21N3OS and a molecular weight of 351.47 g/mol. Its IUPAC name is 1,6',6'-trimethylspiro[2H-indole-3,9'-5,7-dihydro-4H-[1,3]thiazolo[4,5-b]quinoline]-8'-one.

Molecular Properties

Compound Name1,6',6'-trimethylspiro[2H-indole-3,9'-5,7-dihydro-4H-[1,3]thiazolo[4,5-b]quinoline]-8'-one
PubChem CID152802138
Molecular FormulaC20H21N3OS
Molecular Weight351.47 g/mol
Exact Mass351.14
IUPAC Name1,6',6'-trimethylspiro[2H-indole-3,9'-5,7-dihydro-4H-[1,3]thiazolo[4,5-b]quinoline]-8'-one
SMILESCN1CC2(C3=C(CC(C)(C)CC3=O)Nc3ncsc32)c2ccccc21
InChIInChI=1S/C20H21N3OS/c1-19(2)8-13-16(15(24)9-19)20(17-18(22-13)21-11-25-17)10-23(3)14-7-5-4-6-12(14)20/h4-7,11,22H,8-10H2,1-3H3
InChIKeySOFOQTJJYCSHDC-UHFFFAOYSA-N
XLogP3.95
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1,6',6'-trimethylspiro[2H-indole-3,9'-5,7-dihydro-4H-[1,3]thiazolo[4,5-b]quinoline]-8'-one with MolForge

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Related Compounds

(9R)-9-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-6,6,9-trimethyl-5,7-dihydro-4H-[1,3]thiazolo[4,5-b]quinolin-8-one
CID 166894229
(9S)-9-ethyl-9-phenylspiro[5,7-dihydro-4H-[1,3]thiazolo[4,5-b]quinoline-6,1'-cyclopentane]-8-one
CID 153253277
6',6'-dimethylspiro[2,3-dihydro-1H-naphthalene-4,9'-5,7-dihydro-4H-benzo[f][1,3]benzothiazole]-8'-one
CID 158983321
(9R)-9-ethyl-9-phenylspiro[5,7-dihydro-4H-[1,3]thiazolo[4,5-b]quinoline-6,1'-cyclohexane]-8-one
CID 148904685
(9S)-6,6-dimethylspiro[5,7-dihydro-4H-benzo[f][1,3]benzothiazole-9,5'-6,7,8,9-tetrahydrobenzo[7]annulene]-8-one
CID 160696275
3-hydroxy-3-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-1-methylindol-2-one
CID 102171347
(1R)-10,10-dimethyl-4-[(10-methyl-3-thia-5,7-diazahexacyclo[10.9.1.11,13.02,6.08,22.016,21]tricosa-2(6),4,8(22),12,16,18,20-heptaen-10-yl)methyl]-3-thia-5,7-diazahexacyclo[10.9.1.11,13.02,6.08,22.016,21]tricosa-2(6),4,8(22),12,16,18,20-heptaene
CID 167004228
1'-butyl-3,3,7-trimethylspiro[4,10-dihydro-2H-acridine-9,3'-indole]-1,2'-dione
CID 132544480
3,4,7,7-tetramethyl-4-[2-(trifluoromethyl)phenyl]-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one
CID 136980425
3-cyclopropyl-4-(2-fluorophenyl)-4,7,7-trimethyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one
CID 136980458
(4S)-4-ethyl-7,7-dimethyl-4-phenyl-1,6,8,9-tetrahydropyrazolo[5,4-b]quinolin-5-one
CID 136980453
3,3,7-trimethyl-1'-prop-2-enylspiro[4,10-dihydro-2H-acridine-9,3'-indole]-1,2'-dione
CID 132544474

Frequently Asked Questions

What is the IUPAC name of 1,6',6'-trimethylspiro[2H-indole-3,9'-5,7-dihydro-4H-[1,3]thiazolo[4,5-b]quinoline]-8'-one?
The IUPAC name of 1,6',6'-trimethylspiro[2H-indole-3,9'-5,7-dihydro-4H-[1,3]thiazolo[4,5-b]quinoline]-8'-one (CID 152802138) is 1,6',6'-trimethylspiro[2H-indole-3,9'-5,7-dihydro-4H-[1,3]thiazolo[4,5-b]quinoline]-8'-one.
What is the SMILES notation for 1,6',6'-trimethylspiro[2H-indole-3,9'-5,7-dihydro-4H-[1,3]thiazolo[4,5-b]quinoline]-8'-one?
The canonical SMILES for 1,6',6'-trimethylspiro[2H-indole-3,9'-5,7-dihydro-4H-[1,3]thiazolo[4,5-b]quinoline]-8'-one is CN1CC2(C3=C(CC(C)(C)CC3=O)Nc3ncsc32)c2ccccc21.
What is the InChIKey of 1,6',6'-trimethylspiro[2H-indole-3,9'-5,7-dihydro-4H-[1,3]thiazolo[4,5-b]quinoline]-8'-one?
The InChIKey is SOFOQTJJYCSHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3OS/c1-19(2)8-13-16(15(24)9-19)20(17-18(22-13)21-11-25-17)10-23(3)14-7-5-4-6-12(14)20/h4-7,11,22H,8-10H2,1-3H3.
What are the key properties of 1,6',6'-trimethylspiro[2H-indole-3,9'-5,7-dihydro-4H-[1,3]thiazolo[4,5-b]quinoline]-8'-one?
1,6',6'-trimethylspiro[2H-indole-3,9'-5,7-dihydro-4H-[1,3]thiazolo[4,5-b]quinoline]-8'-one has a molecular weight of 351.47 g/mol, XLogP of 3.95, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6',6'-trimethylspiro[2H-indole-3,9'-5,7-dihydro-4H-[1,3]thiazolo[4,5-b]quinoline]-8'-one is sourced from PubChem (CID 152802138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).