methyl (6aR,9S)-7-ethyl-5-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxylate

C19H24N2O2 — CID 57121188

IUPACmethyl (6aR,9S)-7-ethyl-5-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxylate
SMILESCCN1C[C@@H](C(=O)OC)CC2c3cccc4[nH]c(C)c(c34)C[C@H]21
InChIInChI=1S/C19H24N2O2/c1-4-21-10-12(19(22)23-3)8-15-13-6-5-7-16-18(13)14(9-17(15)21)11(2)20-16/h5-7,12,15,17,20H,4,8-10H2,1-3H3/t12-,15?,17+/m0/s1
InChIKeyLXWZUHSYJQQCRU-CZZJGDGRSA-N
MW312.41 g/mol
LogP3.00
Rot. Bonds2

About methyl (6aR,9S)-7-ethyl-5-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxylate

methyl (6aR,9S)-7-ethyl-5-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxylate (PubChem CID 57121188) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is methyl (6aR,9S)-7-ethyl-5-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxylate.

Molecular Properties

Compound Namemethyl (6aR,9S)-7-ethyl-5-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxylate
PubChem CID57121188
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Namemethyl (6aR,9S)-7-ethyl-5-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxylate
SMILESCCN1C[C@@H](C(=O)OC)CC2c3cccc4[nH]c(C)c(c34)C[C@H]21
InChIInChI=1S/C19H24N2O2/c1-4-21-10-12(19(22)23-3)8-15-13-6-5-7-16-18(13)14(9-17(15)21)11(2)20-16/h5-7,12,15,17,20H,4,8-10H2,1-3H3/t12-,15?,17+/m0/s1
InChIKeyLXWZUHSYJQQCRU-CZZJGDGRSA-N
XLogP3.00
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl (6aR,9S)-7-ethyl-5-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxylate with MolForge

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Related Compounds

methyl (6aR,9S)-5-methyl-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxylate
CID 57142187
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
methyl (6aR,9S)-5-(morpholin-4-ylmethyl)-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxylate
CID 57227232
(6aR,9R)-9-(methoxymethyl)-5-methyl-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline
CID 18652439
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
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
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,9S,10aR)-5,7-dimethyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-amine
CID 14277600
(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
(6aR,10aR)-5-(1-methoxycycloheptyl)-7-(2-methylpropyl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxylic acid
CID 67725475
(6aR,9R,10aR)-5-chloro-9-(methoxymethyl)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline;butanedioic acid
CID 70042103
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

Frequently Asked Questions

What is the IUPAC name of methyl (6aR,9S)-7-ethyl-5-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxylate?
The IUPAC name of methyl (6aR,9S)-7-ethyl-5-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxylate (CID 57121188) is methyl (6aR,9S)-7-ethyl-5-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxylate.
What is the SMILES notation for methyl (6aR,9S)-7-ethyl-5-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxylate?
The canonical SMILES for methyl (6aR,9S)-7-ethyl-5-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxylate is CCN1C[C@@H](C(=O)OC)CC2c3cccc4[nH]c(C)c(c34)C[C@H]21.
What is the InChIKey of methyl (6aR,9S)-7-ethyl-5-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxylate?
The InChIKey is LXWZUHSYJQQCRU-CZZJGDGRSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-4-21-10-12(19(22)23-3)8-15-13-6-5-7-16-18(13)14(9-17(15)21)11(2)20-16/h5-7,12,15,17,20H,4,8-10H2,1-3H3/t12-,15?,17+/m0/s1.
What are the key properties of methyl (6aR,9S)-7-ethyl-5-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxylate?
methyl (6aR,9S)-7-ethyl-5-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxylate has a molecular weight of 312.41 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (6aR,9S)-7-ethyl-5-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxylate is sourced from PubChem (CID 57121188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).