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

C21H24N4OS — CID 56992882

IUPAC3-[(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
SMILESCN1CC(CCC(=O)Nc2nccs2)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21
InChIInChI=1S/C21H24N4OS/c1-25-12-13(5-6-19(26)24-21-22-7-8-27-21)9-16-15-3-2-4-17-20(15)14(11-23-17)10-18(16)25/h2-4,7-8,11,13,16,18,23H,5-6,9-10,12H2,1H3,(H,22,24,26)/t13?,16-,18-/m1/s1
InChIKeyMNFXKPZQRKTWLK-FMRBYIFOSA-N
MW380.52 g/mol
LogP4.00
Rot. Bonds4

About 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

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 (PubChem CID 56992882) has the molecular formula C21H24N4OS and a molecular weight of 380.52 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[(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
PubChem CID56992882
Molecular FormulaC21H24N4OS
Molecular Weight380.52 g/mol
Exact Mass380.17
IUPAC Name3-[(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
SMILESCN1CC(CCC(=O)Nc2nccs2)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21
InChIInChI=1S/C21H24N4OS/c1-25-12-13(5-6-19(26)24-21-22-7-8-27-21)9-16-15-3-2-4-17-20(15)14(11-23-17)10-18(16)25/h2-4,7-8,11,13,16,18,23H,5-6,9-10,12H2,1H3,(H,22,24,26)/t13?,16-,18-/m1/s1
InChIKeyMNFXKPZQRKTWLK-FMRBYIFOSA-N
XLogP4.00
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.52
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 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 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
N'-[[(6aR,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]acetohydrazide
CID 57020678
2-[(6aR,9S)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-N-ethylethanamine;bis((E)-but-2-enedioic acid)
CID 6446086
3-[(6aR,9R)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]propanethial
CID 90108117
1-[2-[(6aR,9S,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]ethyl]-1,3-diazinane-2,4-dione
CID 10785133
N-[[(6aR,9S)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methylcarbamothioyl]propanamide
CID 88704534
(6aR,9R,10aR)-7-methyl-9-(methylsulfanylmethyl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline;hydrochloride
CID 21154393
(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
(Z)-4-[[(6aR,9R)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methoxy]pent-3-en-2-one
CID 6447653
(6aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 54146614
(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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN1CC(CCC(=O)Nc2nccs2)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21.
What is the InChIKey of 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?
The InChIKey is MNFXKPZQRKTWLK-FMRBYIFOSA-N. The full InChI is InChI=1S/C21H24N4OS/c1-25-12-13(5-6-19(26)24-21-22-7-8-27-21)9-16-15-3-2-4-17-20(15)14(11-23-17)10-18(16)25/h2-4,7-8,11,13,16,18,23H,5-6,9-10,12H2,1H3,(H,22,24,26)/t13?,16-,18-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 380.52 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 56992882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).