(7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone

C20H23N3O2S — CID 170723210

IUPAC(7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone
SMILESCN1CC(C(=O)N2CCS(=O)CC2)C=C2c3cccc4[nH]cc(c34)CC21
InChIInChI=1S/C20H23N3O2S/c1-22-12-14(20(24)23-5-7-26(25)8-6-23)9-16-15-3-2-4-17-19(15)13(11-21-17)10-18(16)22/h2-4,9,11,14,18,21H,5-8,10,12H2,1H3
InChIKeyWTOIOVYNYGPOLH-UHFFFAOYSA-N
MW369.49 g/mol
LogP1.63
Rot. Bonds1

About (7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone

(7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone (PubChem CID 170723210) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is (7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone.

Molecular Properties

Compound Name(7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone
PubChem CID170723210
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC Name(7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone
SMILESCN1CC(C(=O)N2CCS(=O)CC2)C=C2c3cccc4[nH]cc(c34)CC21
InChIInChI=1S/C20H23N3O2S/c1-22-12-14(20(24)23-5-7-26(25)8-6-23)9-16-15-3-2-4-17-19(15)13(11-21-17)10-18(16)22/h2-4,9,11,14,18,21H,5-8,10,12H2,1H3
InChIKeyWTOIOVYNYGPOLH-UHFFFAOYSA-N
XLogP1.63
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

(6-fluoro-3-azabicyclo[3.1.0]hexan-3-yl)-(7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl)methanone
CID 170723200
(6aS,9S)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxylic acid
CID 102031246
[(6aR,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-morpholin-4-ylmethanone;(2R,3R)-2,3-dihydroxybutanedioic acid
CID 3048720
7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxylic acid;hydrate
CID 23333323
methyl (6aR,9S)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxylate
CID 13243563
N,N,7-trimethyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 53463870
(6aR,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;methylsulfanylmethane
CID 174364920
(6aS,9S)-N-hydroxy-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 94654100
[(6aR,9R)-7-propan-2-yl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-pyrrolidin-1-ylmethanone
CID 167171045
N,N-diethyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 3981
N-cyclopropyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 78302734
9-(pyrrolidine-1-carbonyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-7-carboxylic acid
CID 68547726

Frequently Asked Questions

What is the IUPAC name of (7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone?
The IUPAC name of (7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone (CID 170723210) is (7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone.
What is the SMILES notation for (7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone?
The canonical SMILES for (7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone is CN1CC(C(=O)N2CCS(=O)CC2)C=C2c3cccc4[nH]cc(c34)CC21.
What is the InChIKey of (7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone?
The InChIKey is WTOIOVYNYGPOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S/c1-22-12-14(20(24)23-5-7-26(25)8-6-23)9-16-15-3-2-4-17-19(15)13(11-21-17)10-18(16)22/h2-4,9,11,14,18,21H,5-8,10,12H2,1H3.
What are the key properties of (7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone?
(7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone has a molecular weight of 369.49 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone is sourced from PubChem (CID 170723210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).