(6aR,9R)-5,7-dimethyl-N-(1,3-thiazol-2-yl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide

C20H22N4OS — CID 56621294

IUPAC(6aR,9R)-5,7-dimethyl-N-(1,3-thiazol-2-yl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
SMILESCc1[nH]c2cccc3c2c1C[C@@H]1C3C[C@@H](C(=O)Nc2nccs2)CN1C
InChIInChI=1S/C20H22N4OS/c1-11-14-9-17-15(13-4-3-5-16(22-11)18(13)14)8-12(10-24(17)2)19(25)23-20-21-6-7-26-20/h3-7,12,15,17,22H,8-10H2,1-2H3,(H,21,23,25)/t12-,15?,17-/m1/s1
InChIKeyJWTMKPHEWURXDA-XURPUJGUSA-N
MW366.49 g/mol
LogP3.53
Rot. Bonds2

About (6aR,9R)-5,7-dimethyl-N-(1,3-thiazol-2-yl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide

(6aR,9R)-5,7-dimethyl-N-(1,3-thiazol-2-yl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide (PubChem CID 56621294) has the molecular formula C20H22N4OS and a molecular weight of 366.49 g/mol. Its IUPAC name is (6aR,9R)-5,7-dimethyl-N-(1,3-thiazol-2-yl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide.

Molecular Properties

Compound Name(6aR,9R)-5,7-dimethyl-N-(1,3-thiazol-2-yl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
PubChem CID56621294
Molecular FormulaC20H22N4OS
Molecular Weight366.49 g/mol
Exact Mass366.15
IUPAC Name(6aR,9R)-5,7-dimethyl-N-(1,3-thiazol-2-yl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
SMILESCc1[nH]c2cccc3c2c1C[C@@H]1C3C[C@@H](C(=O)Nc2nccs2)CN1C
InChIInChI=1S/C20H22N4OS/c1-11-14-9-17-15(13-4-3-5-16(22-11)18(13)14)8-12(10-24(17)2)19(25)23-20-21-6-7-26-20/h3-7,12,15,17,22H,8-10H2,1-2H3,(H,21,23,25)/t12-,15?,17-/m1/s1
InChIKeyJWTMKPHEWURXDA-XURPUJGUSA-N
XLogP3.53
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (6aR,9R)-5,7-dimethyl-N-(1,3-thiazol-2-yl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide with MolForge

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Related Compounds

(6aR,10aR)-7-methyl-N-(1,3-thiazol-2-yl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 57286069
(6aR,9S)-7-methyl-N-(1,3-thiazol-2-yl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 88701423
(6aR,9R)-4,7-dimethyl-N-(1,3-thiazol-2-yl)-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide
CID 56619314
(6aR,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-5,9-dicarboxylic acid
CID 70526136
(6aR,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-5,9-dicarboxamide
CID 70536326
N-(5,7-dimethyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl)-2-ethyl-2-methylbutanamide
CID 14369085
3-[(6aR,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 56992882
methyl (6aR,9S)-5-methyl-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxylate
CID 57142187
(6aR,10aR)-7-methyl-N-(3-methyl-1,2-thiazol-5-yl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 70485463
3-[(6aR,9S)-5,7-dimethyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-2-cyanopropanamide
CID 3068055
(6aR,9R)-7-methyl-N-(4-oxidopyrazin-4-ium-2-yl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 57257896
(6aR,10aR)-N-(5-bromopyrazin-2-yl)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 57237293

Frequently Asked Questions

What is the IUPAC name of (6aR,9R)-5,7-dimethyl-N-(1,3-thiazol-2-yl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide?
The IUPAC name of (6aR,9R)-5,7-dimethyl-N-(1,3-thiazol-2-yl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide (CID 56621294) is (6aR,9R)-5,7-dimethyl-N-(1,3-thiazol-2-yl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide.
What is the SMILES notation for (6aR,9R)-5,7-dimethyl-N-(1,3-thiazol-2-yl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide?
The canonical SMILES for (6aR,9R)-5,7-dimethyl-N-(1,3-thiazol-2-yl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide is Cc1[nH]c2cccc3c2c1C[C@@H]1C3C[C@@H](C(=O)Nc2nccs2)CN1C.
What is the InChIKey of (6aR,9R)-5,7-dimethyl-N-(1,3-thiazol-2-yl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide?
The InChIKey is JWTMKPHEWURXDA-XURPUJGUSA-N. The full InChI is InChI=1S/C20H22N4OS/c1-11-14-9-17-15(13-4-3-5-16(22-11)18(13)14)8-12(10-24(17)2)19(25)23-20-21-6-7-26-20/h3-7,12,15,17,22H,8-10H2,1-2H3,(H,21,23,25)/t12-,15?,17-/m1/s1.
What are the key properties of (6aR,9R)-5,7-dimethyl-N-(1,3-thiazol-2-yl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide?
(6aR,9R)-5,7-dimethyl-N-(1,3-thiazol-2-yl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide has a molecular weight of 366.49 g/mol, XLogP of 3.53, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR,9R)-5,7-dimethyl-N-(1,3-thiazol-2-yl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide is sourced from PubChem (CID 56621294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).