(6aR)-9-ethyl-7-methyl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinolin-7-ium

C17H21N2+ — CID 172577988

IUPAC(6aR)-9-ethyl-7-methyl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinolin-7-ium
SMILESCCC1C=C2c3cccc4[nH]cc(c34)C[C@H]2[NH+](C)C1
InChIInChI=1S/C17H20N2/c1-3-11-7-14-13-5-4-6-15-17(13)12(9-18-15)8-16(14)19(2)10-11/h4-7,9,11,16,18H,3,8,10H2,1-2H3/p+1/t11?,16-/m1/s1
InChIKeyQQKGTNZSFFNYHP-WVQRXBFSSA-O
MW253.37 g/mol
LogP2.03
Rot. Bonds1

About (6aR)-9-ethyl-7-methyl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinolin-7-ium

(6aR)-9-ethyl-7-methyl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinolin-7-ium (PubChem CID 172577988) has the molecular formula C17H21N2+ and a molecular weight of 253.37 g/mol. Its IUPAC name is (6aR)-9-ethyl-7-methyl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinolin-7-ium.

Molecular Properties

Compound Name(6aR)-9-ethyl-7-methyl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinolin-7-ium
PubChem CID172577988
Molecular FormulaC17H21N2+
Molecular Weight253.37 g/mol
Exact Mass253.17
IUPAC Name(6aR)-9-ethyl-7-methyl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinolin-7-ium
SMILESCCC1C=C2c3cccc4[nH]cc(c34)C[C@H]2[NH+](C)C1
InChIInChI=1S/C17H20N2/c1-3-11-7-14-13-5-4-6-15-17(13)12(9-18-15)8-16(14)19(2)10-11/h4-7,9,11,16,18H,3,8,10H2,1-2H3/p+1/t11?,16-/m1/s1
InChIKeyQQKGTNZSFFNYHP-WVQRXBFSSA-O
XLogP2.03
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

Analyze (6aR)-9-ethyl-7-methyl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinolin-7-ium with MolForge

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Related Compounds

[(6aR,9S)-7-methyl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinolin-7-ium-9-yl]methanol
CID 7059542
(6aR,9R)-N-[(2S)-1-hydroxybutan-2-yl]-7-methyl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinolin-7-ium-9-carboxamide
CID 7048707
N-[2-[2-[(6aR,9R)-7-methyl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinolin-7-ium-9-carbonyl]-2-propan-2-ylhydrazinyl]ethyl]methanesulfonamide
CID 168771409
(6aR)-9-(iodomethyl)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline
CID 166091886
4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinolin-9-ylmethanol
CID 123663983
(6aR,9S)-7-ethyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-amine
CID 70392867
2-[(6aR)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-N,N-diethylacetamide
CID 159746240
(6aR,9R)-7-methyl-9-(phenylsulfanylmethyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline
CID 14107774
7-ethyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline
CID 166091851
[(6aR,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]methylurea
CID 70390159
N,N-diethyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 3981
1-[(4S,7R)-11-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,9,12,14-pentaen-4-yl]ethanone
CID 122549277

Frequently Asked Questions

What is the IUPAC name of (6aR)-9-ethyl-7-methyl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinolin-7-ium?
The IUPAC name of (6aR)-9-ethyl-7-methyl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinolin-7-ium (CID 172577988) is (6aR)-9-ethyl-7-methyl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinolin-7-ium.
What is the SMILES notation for (6aR)-9-ethyl-7-methyl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinolin-7-ium?
The canonical SMILES for (6aR)-9-ethyl-7-methyl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinolin-7-ium is CCC1C=C2c3cccc4[nH]cc(c34)C[C@H]2[NH+](C)C1.
What is the InChIKey of (6aR)-9-ethyl-7-methyl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinolin-7-ium?
The InChIKey is QQKGTNZSFFNYHP-WVQRXBFSSA-O. The full InChI is InChI=1S/C17H20N2/c1-3-11-7-14-13-5-4-6-15-17(13)12(9-18-15)8-16(14)19(2)10-11/h4-7,9,11,16,18H,3,8,10H2,1-2H3/p+1/t11?,16-/m1/s1.
What are the key properties of (6aR)-9-ethyl-7-methyl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinolin-7-ium?
(6aR)-9-ethyl-7-methyl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinolin-7-ium has a molecular weight of 253.37 g/mol, XLogP of 2.03, 1 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR)-9-ethyl-7-methyl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinolin-7-ium is sourced from PubChem (CID 172577988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).