(6aR,9S)-4-ethyl-7-methyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-amine

C17H23N3 — CID 54418825

IUPAC(6aR,9S)-4-ethyl-7-methyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-amine
SMILESCCn1cc2c3c(cccc31)C1C[C@H](N)CN(C)[C@@H]1C2
InChIInChI=1S/C17H23N3/c1-3-20-9-11-7-16-14(8-12(18)10-19(16)2)13-5-4-6-15(20)17(11)13/h4-6,9,12,14,16H,3,7-8,10,18H2,1-2H3/t12-,14?,16+/m0/s1
InChIKeyVZIZRSMGQFGWBR-RAAOQPIXSA-N
MW269.39 g/mol
LogP2.33
Rot. Bonds1

About (6aR,9S)-4-ethyl-7-methyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-amine

(6aR,9S)-4-ethyl-7-methyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-amine (PubChem CID 54418825) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is (6aR,9S)-4-ethyl-7-methyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-amine.

Molecular Properties

Compound Name(6aR,9S)-4-ethyl-7-methyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-amine
PubChem CID54418825
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name(6aR,9S)-4-ethyl-7-methyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-amine
SMILESCCn1cc2c3c(cccc31)C1C[C@H](N)CN(C)[C@@H]1C2
InChIInChI=1S/C17H23N3/c1-3-20-9-11-7-16-14(8-12(18)10-19(16)2)13-5-4-6-15(20)17(11)13/h4-6,9,12,14,16H,3,7-8,10,18H2,1-2H3/t12-,14?,16+/m0/s1
InChIKeyVZIZRSMGQFGWBR-RAAOQPIXSA-N
XLogP2.33
TPSA34.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6aR,9S)-4-ethyl-7-methyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-amine?
The IUPAC name of (6aR,9S)-4-ethyl-7-methyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-amine (CID 54418825) is (6aR,9S)-4-ethyl-7-methyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-amine.
What is the SMILES notation for (6aR,9S)-4-ethyl-7-methyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-amine?
The canonical SMILES for (6aR,9S)-4-ethyl-7-methyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-amine is CCn1cc2c3c(cccc31)C1C[C@H](N)CN(C)[C@@H]1C2.
What is the InChIKey of (6aR,9S)-4-ethyl-7-methyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-amine?
The InChIKey is VZIZRSMGQFGWBR-RAAOQPIXSA-N. The full InChI is InChI=1S/C17H23N3/c1-3-20-9-11-7-16-14(8-12(18)10-19(16)2)13-5-4-6-15(20)17(11)13/h4-6,9,12,14,16H,3,7-8,10,18H2,1-2H3/t12-,14?,16+/m0/s1.
What are the key properties of (6aR,9S)-4-ethyl-7-methyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-amine?
(6aR,9S)-4-ethyl-7-methyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-amine has a molecular weight of 269.39 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR,9S)-4-ethyl-7-methyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-amine is sourced from PubChem (CID 54418825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).