2-[(6aR,10aR)-4,5,7-trimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]ethyl morpholine-4-carboxylate

C24H33N3O3 — CID 57159282

IUPAC2-[(6aR,10aR)-4,5,7-trimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]ethyl morpholine-4-carboxylate
SMILESCc1c2c3c(cccc3n1C)[C@H]1CC(CCOC(=O)N3CCOCC3)CN(C)[C@@H]1C2
InChIInChI=1S/C24H33N3O3/c1-16-19-14-22-20(18-5-4-6-21(23(18)19)26(16)3)13-17(15-25(22)2)7-10-30-24(28)27-8-11-29-12-9-27/h4-6,17,20,22H,7-15H2,1-3H3/t17?,20-,22-/m1/s1
InChIKeyYIWVDQKSKFJSGY-SXHSKPAUSA-N
MW411.55 g/mol
LogP3.31
Rot. Bonds3

About 2-[(6aR,10aR)-4,5,7-trimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]ethyl morpholine-4-carboxylate

2-[(6aR,10aR)-4,5,7-trimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]ethyl morpholine-4-carboxylate (PubChem CID 57159282) has the molecular formula C24H33N3O3 and a molecular weight of 411.55 g/mol. Its IUPAC name is 2-[(6aR,10aR)-4,5,7-trimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]ethyl morpholine-4-carboxylate.

Molecular Properties

Compound Name2-[(6aR,10aR)-4,5,7-trimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]ethyl morpholine-4-carboxylate
PubChem CID57159282
Molecular FormulaC24H33N3O3
Molecular Weight411.55 g/mol
Exact Mass411.25
IUPAC Name2-[(6aR,10aR)-4,5,7-trimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]ethyl morpholine-4-carboxylate
SMILESCc1c2c3c(cccc3n1C)[C@H]1CC(CCOC(=O)N3CCOCC3)CN(C)[C@@H]1C2
InChIInChI=1S/C24H33N3O3/c1-16-19-14-22-20(18-5-4-6-21(23(18)19)26(16)3)13-17(15-25(22)2)7-10-30-24(28)27-8-11-29-12-9-27/h4-6,17,20,22H,7-15H2,1-3H3/t17?,20-,22-/m1/s1
InChIKeyYIWVDQKSKFJSGY-SXHSKPAUSA-N
XLogP3.31
TPSA46.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Analyze 2-[(6aR,10aR)-4,5,7-trimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]ethyl morpholine-4-carboxylate with MolForge

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Related Compounds

2-[(6aR,10aR)-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]ethyl morpholine-4-carboxylate
CID 56986789
[(6aR,9R)-5-bromo-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl azetidine-1-carboxylate
CID 70591508
[(6aR,9R)-5-bromo-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl piperidine-1-carboxylate
CID 70591704
[(6aR,9R)-4,7-dimethyl-5-methylsulfanyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]methyl N,N-dimethylcarbamate;(Z)-but-2-enedioic acid
CID 70592841
[(6aR,9R)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl piperidine-1-carboxylate
CID 54474973
[(6aS,10aS)-5-chloro-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl methyl carbonate
CID 70628113
1-[(6aR)-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]-2-morpholin-4-ylethanone
CID 54282584
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
3-[(6aR,9S,10aR)-5-ethyl-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]-1,1-diethylurea
CID 139640545
2-[(6aR,9R)-5-chloro-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]acetonitrile
CID 22812435
(6aR)-9-(bromomethyl)-5-chloro-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline
CID 54476679
[(6aS,10aS)-5-chloro-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl methanesulfonate
CID 88812486

Frequently Asked Questions

What is the IUPAC name of 2-[(6aR,10aR)-4,5,7-trimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]ethyl morpholine-4-carboxylate?
The IUPAC name of 2-[(6aR,10aR)-4,5,7-trimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]ethyl morpholine-4-carboxylate (CID 57159282) is 2-[(6aR,10aR)-4,5,7-trimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]ethyl morpholine-4-carboxylate.
What is the SMILES notation for 2-[(6aR,10aR)-4,5,7-trimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]ethyl morpholine-4-carboxylate?
The canonical SMILES for 2-[(6aR,10aR)-4,5,7-trimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]ethyl morpholine-4-carboxylate is Cc1c2c3c(cccc3n1C)[C@H]1CC(CCOC(=O)N3CCOCC3)CN(C)[C@@H]1C2.
What is the InChIKey of 2-[(6aR,10aR)-4,5,7-trimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]ethyl morpholine-4-carboxylate?
The InChIKey is YIWVDQKSKFJSGY-SXHSKPAUSA-N. The full InChI is InChI=1S/C24H33N3O3/c1-16-19-14-22-20(18-5-4-6-21(23(18)19)26(16)3)13-17(15-25(22)2)7-10-30-24(28)27-8-11-29-12-9-27/h4-6,17,20,22H,7-15H2,1-3H3/t17?,20-,22-/m1/s1.
What are the key properties of 2-[(6aR,10aR)-4,5,7-trimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]ethyl morpholine-4-carboxylate?
2-[(6aR,10aR)-4,5,7-trimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]ethyl morpholine-4-carboxylate has a molecular weight of 411.55 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6aR,10aR)-4,5,7-trimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]ethyl morpholine-4-carboxylate is sourced from PubChem (CID 57159282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).