N-[(6aR,9R,10aR)-5-ethyl-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]acetamide

C21H29N3O — CID 15096714

IUPACN-[(6aR,9R,10aR)-5-ethyl-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]acetamide
SMILESCCCN1C[C@H](NC(C)=O)C[C@@H]2c3cccc4[nH]c(CC)c(c34)C[C@H]21
InChIInChI=1S/C21H29N3O/c1-4-9-24-12-14(22-13(3)25)10-16-15-7-6-8-19-21(15)17(11-20(16)24)18(5-2)23-19/h6-8,14,16,20,23H,4-5,9-12H2,1-3H3,(H,22,25)/t14-,16-,20-/m1/s1
InChIKeyGFFBCGNJEHHUBD-AKCHCHLHSA-N
MW339.48 g/mol
LogP3.36
Rot. Bonds4

About N-[(6aR,9R,10aR)-5-ethyl-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]acetamide

N-[(6aR,9R,10aR)-5-ethyl-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]acetamide (PubChem CID 15096714) has the molecular formula C21H29N3O and a molecular weight of 339.48 g/mol. Its IUPAC name is N-[(6aR,9R,10aR)-5-ethyl-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]acetamide.

Molecular Properties

Compound NameN-[(6aR,9R,10aR)-5-ethyl-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]acetamide
PubChem CID15096714
Molecular FormulaC21H29N3O
Molecular Weight339.48 g/mol
Exact Mass339.23
IUPAC NameN-[(6aR,9R,10aR)-5-ethyl-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]acetamide
SMILESCCCN1C[C@H](NC(C)=O)C[C@@H]2c3cccc4[nH]c(CC)c(c34)C[C@H]21
InChIInChI=1S/C21H29N3O/c1-4-9-24-12-14(22-13(3)25)10-16-15-7-6-8-19-21(15)17(11-20(16)24)18(5-2)23-19/h6-8,14,16,20,23H,4-5,9-12H2,1-3H3,(H,22,25)/t14-,16-,20-/m1/s1
InChIKeyGFFBCGNJEHHUBD-AKCHCHLHSA-N
XLogP3.36
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(6aR,9R,10aR)-5-ethyl-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]acetamide with MolForge

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Related Compounds

3-[(6aR,9S)-5-methyl-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-1,1-diethylurea
CID 70049808
3-[(6aR,9S,10aR)-7-(cyclopropylmethyl)-5-ethyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-1,1-diethylurea
CID 14723142
N-[(6aR,9R,10aR)-2-bromo-5-methyl-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]acetamide
CID 15096711
3-[(6aR,9S,10aR)-5-propan-2-yl-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-1,1-diethylurea
CID 14723166
methyl (6aR,9R,10aR)-5-(hydroxymethyl)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxylate
CID 67885467
(6aR,9R,10aR)-N-[3-(dimethylamino)propyl]-5-ethyl-N-(ethylcarbamoyl)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 67885366
N-[(6aR,9S,10aR)-5-methyl-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methanethioamide
CID 15069954
[(6aR,9R)-9-(methylsulfanylmethyl)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-5-yl]methanol
CID 67885650
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,9S,10aR)-5-(morpholin-4-ylmethyl)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-amine
CID 15069961
3-[(6aR,10aR)-7-ethyl-5-(2-morpholin-4-ylethyl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-1,1-diethylurea
CID 57021694
2-[(6aR,9S)-2-bromo-5-ethyl-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]acetamide
CID 70044322

Frequently Asked Questions

What is the IUPAC name of N-[(6aR,9R,10aR)-5-ethyl-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]acetamide?
The IUPAC name of N-[(6aR,9R,10aR)-5-ethyl-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]acetamide (CID 15096714) is N-[(6aR,9R,10aR)-5-ethyl-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]acetamide.
What is the SMILES notation for N-[(6aR,9R,10aR)-5-ethyl-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]acetamide?
The canonical SMILES for N-[(6aR,9R,10aR)-5-ethyl-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]acetamide is CCCN1C[C@H](NC(C)=O)C[C@@H]2c3cccc4[nH]c(CC)c(c34)C[C@H]21.
What is the InChIKey of N-[(6aR,9R,10aR)-5-ethyl-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]acetamide?
The InChIKey is GFFBCGNJEHHUBD-AKCHCHLHSA-N. The full InChI is InChI=1S/C21H29N3O/c1-4-9-24-12-14(22-13(3)25)10-16-15-7-6-8-19-21(15)17(11-20(16)24)18(5-2)23-19/h6-8,14,16,20,23H,4-5,9-12H2,1-3H3,(H,22,25)/t14-,16-,20-/m1/s1.
What are the key properties of N-[(6aR,9R,10aR)-5-ethyl-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]acetamide?
N-[(6aR,9R,10aR)-5-ethyl-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]acetamide has a molecular weight of 339.48 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6aR,9R,10aR)-5-ethyl-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]acetamide is sourced from PubChem (CID 15096714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).