9-ethenyl-7-methyl-4,6,8,9-tetrahydroindolo[4,3-fg]quinolin-6a-amine

C17H19N3 — CID 155461665

IUPAC9-ethenyl-7-methyl-4,6,8,9-tetrahydroindolo[4,3-fg]quinolin-6a-amine
SMILESC=CC1C=C2c3cccc4[nH]cc(c34)CC2(N)N(C)C1
InChIInChI=1S/C17H19N3/c1-3-11-7-14-13-5-4-6-15-16(13)12(9-19-15)8-17(14,18)20(2)10-11/h3-7,9,11,19H,1,8,10,18H2,2H3
InChIKeyJKNUEBKYDDGENG-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.51
Rot. Bonds1

About 9-ethenyl-7-methyl-4,6,8,9-tetrahydroindolo[4,3-fg]quinolin-6a-amine

9-ethenyl-7-methyl-4,6,8,9-tetrahydroindolo[4,3-fg]quinolin-6a-amine (PubChem CID 155461665) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is 9-ethenyl-7-methyl-4,6,8,9-tetrahydroindolo[4,3-fg]quinolin-6a-amine.

Molecular Properties

Compound Name9-ethenyl-7-methyl-4,6,8,9-tetrahydroindolo[4,3-fg]quinolin-6a-amine
PubChem CID155461665
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Name9-ethenyl-7-methyl-4,6,8,9-tetrahydroindolo[4,3-fg]quinolin-6a-amine
SMILESC=CC1C=C2c3cccc4[nH]cc(c34)CC2(N)N(C)C1
InChIInChI=1S/C17H19N3/c1-3-11-7-14-13-5-4-6-15-16(13)12(9-19-15)8-17(14,18)20(2)10-11/h3-7,9,11,19H,1,8,10,18H2,2H3
InChIKeyJKNUEBKYDDGENG-UHFFFAOYSA-N
XLogP2.51
TPSA45.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(6aR,9R)-N,N-diethyl-6a-methyl-7-prop-2-enyl-4,6,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide
CID 166038736
(2R)-2-[[(6aR,9R)-6a,7-dimethyl-4,6,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carbonyl]amino]-2-hydroxypropanoic acid
CID 129260616
(6aR,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;methylsulfanylmethane
CID 174364920
(6aS,9S)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxylic acid
CID 102031246
[(9R)-6a-methyl-7-prop-2-ynyl-4,6,8,9-tetrahydroindolo[4,3-fg]quinolin-9-yl]-pyrrolidin-1-ylmethanone
CID 166092004
7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxylic acid;hydrate
CID 23333323
cyclopropane;7-propyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 171536907
(6aR,9S)-7-ethyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-amine
CID 70392867
(6aR)-9-(iodomethyl)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline
CID 166091886
[(6aR,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]methylurea
CID 70390159
(6aR,9R)-N-ethenyl-N-ethyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 54085403
(6S)-3,5-dimethyl-5,10-diazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,8,11,13-pentaene
CID 138970687

Frequently Asked Questions

What is the IUPAC name of 9-ethenyl-7-methyl-4,6,8,9-tetrahydroindolo[4,3-fg]quinolin-6a-amine?
The IUPAC name of 9-ethenyl-7-methyl-4,6,8,9-tetrahydroindolo[4,3-fg]quinolin-6a-amine (CID 155461665) is 9-ethenyl-7-methyl-4,6,8,9-tetrahydroindolo[4,3-fg]quinolin-6a-amine.
What is the SMILES notation for 9-ethenyl-7-methyl-4,6,8,9-tetrahydroindolo[4,3-fg]quinolin-6a-amine?
The canonical SMILES for 9-ethenyl-7-methyl-4,6,8,9-tetrahydroindolo[4,3-fg]quinolin-6a-amine is C=CC1C=C2c3cccc4[nH]cc(c34)CC2(N)N(C)C1.
What is the InChIKey of 9-ethenyl-7-methyl-4,6,8,9-tetrahydroindolo[4,3-fg]quinolin-6a-amine?
The InChIKey is JKNUEBKYDDGENG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-3-11-7-14-13-5-4-6-15-16(13)12(9-19-15)8-17(14,18)20(2)10-11/h3-7,9,11,19H,1,8,10,18H2,2H3.
What are the key properties of 9-ethenyl-7-methyl-4,6,8,9-tetrahydroindolo[4,3-fg]quinolin-6a-amine?
9-ethenyl-7-methyl-4,6,8,9-tetrahydroindolo[4,3-fg]quinolin-6a-amine has a molecular weight of 265.36 g/mol, XLogP of 2.51, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethenyl-7-methyl-4,6,8,9-tetrahydroindolo[4,3-fg]quinolin-6a-amine is sourced from PubChem (CID 155461665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).