N-[(6aR,9S,10aR)-5-methyl-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-2,2,2-trifluoroacetamide

C20H24F3N3O — CID 15069931

IUPACN-[(6aR,9S,10aR)-5-methyl-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-2,2,2-trifluoroacetamide
SMILESCCCN1C[C@@H](NC(=O)C(F)(F)F)C[C@@H]2c3cccc4[nH]c(C)c(c34)C[C@H]21
InChIInChI=1S/C20H24F3N3O/c1-3-7-26-10-12(25-19(27)20(21,22)23)8-15-13-5-4-6-16-18(13)14(9-17(15)26)11(2)24-16/h4-6,12,15,17,24H,3,7-10H2,1-2H3,(H,25,27)/t12-,15+,17+/m0/s1
InChIKeyRNFXAHDPVMATRE-XGWLTEMNSA-N
MW379.43 g/mol
LogP3.65
Rot. Bonds3

About N-[(6aR,9S,10aR)-5-methyl-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-2,2,2-trifluoroacetamide

N-[(6aR,9S,10aR)-5-methyl-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-2,2,2-trifluoroacetamide (PubChem CID 15069931) has the molecular formula C20H24F3N3O and a molecular weight of 379.43 g/mol. Its IUPAC name is N-[(6aR,9S,10aR)-5-methyl-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[(6aR,9S,10aR)-5-methyl-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-2,2,2-trifluoroacetamide
PubChem CID15069931
Molecular FormulaC20H24F3N3O
Molecular Weight379.43 g/mol
Exact Mass379.19
IUPAC NameN-[(6aR,9S,10aR)-5-methyl-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-2,2,2-trifluoroacetamide
SMILESCCCN1C[C@@H](NC(=O)C(F)(F)F)C[C@@H]2c3cccc4[nH]c(C)c(c34)C[C@H]21
InChIInChI=1S/C20H24F3N3O/c1-3-7-26-10-12(25-19(27)20(21,22)23)8-15-13-5-4-6-16-18(13)14(9-17(15)26)11(2)24-16/h4-6,12,15,17,24H,3,7-10H2,1-2H3,(H,25,27)/t12-,15+,17+/m0/s1
InChIKeyRNFXAHDPVMATRE-XGWLTEMNSA-N
XLogP3.65
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.43
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(6aR,9S,10aR)-5-methyl-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-2,2,2-trifluoroacetamide with MolForge

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Related Compounds

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Festuclavine
CID 332915
Bromolysergide
CID 10171
(6aR,9S)-N,N-diethyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo(4,3-fg)quinoline-9-carboxamide
CID 638252
CY 208-243
CID 58144
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Fce 23884
CID 65898
Fce 22716
CID 125720
N-(2,6-dimethylergoline-8-yl)-2,2-dimethylpropanamide
CID 148841

Frequently Asked Questions

What is the IUPAC name of N-[(6aR,9S,10aR)-5-methyl-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[(6aR,9S,10aR)-5-methyl-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-2,2,2-trifluoroacetamide (CID 15069931) is N-[(6aR,9S,10aR)-5-methyl-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[(6aR,9S,10aR)-5-methyl-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[(6aR,9S,10aR)-5-methyl-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-2,2,2-trifluoroacetamide is CCCN1C[C@@H](NC(=O)C(F)(F)F)C[C@@H]2c3cccc4[nH]c(C)c(c34)C[C@H]21.
What is the InChIKey of N-[(6aR,9S,10aR)-5-methyl-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-2,2,2-trifluoroacetamide?
The InChIKey is RNFXAHDPVMATRE-XGWLTEMNSA-N. The full InChI is InChI=1S/C20H24F3N3O/c1-3-7-26-10-12(25-19(27)20(21,22)23)8-15-13-5-4-6-16-18(13)14(9-17(15)26)11(2)24-16/h4-6,12,15,17,24H,3,7-10H2,1-2H3,(H,25,27)/t12-,15+,17+/m0/s1.
What are the key properties of N-[(6aR,9S,10aR)-5-methyl-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-2,2,2-trifluoroacetamide?
N-[(6aR,9S,10aR)-5-methyl-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-2,2,2-trifluoroacetamide has a molecular weight of 379.43 g/mol, XLogP of 3.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6aR,9S,10aR)-5-methyl-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 15069931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).