(4aS,6S,11cR)-3,3,6-trimethyl-1,2,4,4a,5,6,7,11c-octahydroindolo[2,3-c]quinoline

C18H24N2 — CID 11872056

IUPAC(4aS,6S,11cR)-3,3,6-trimethyl-1,2,4,4a,5,6,7,11c-octahydroindolo[2,3-c]quinoline
SMILESC[C@@H]1N[C@H]2CC(C)(C)CC[C@@H]2c2c1[nH]c1ccccc21
InChIInChI=1S/C18H24N2/c1-11-17-16(12-6-4-5-7-14(12)20-17)13-8-9-18(2,3)10-15(13)19-11/h4-7,11,13,15,19-20H,8-10H2,1-3H3/t11-,13-,15-/m0/s1
InChIKeyGAYOPOORDLRTFT-WHOFXGATSA-N
MW268.40 g/mol
LogP4.49
Rot. Bonds

About (4aS,6S,11cR)-3,3,6-trimethyl-1,2,4,4a,5,6,7,11c-octahydroindolo[2,3-c]quinoline

(4aS,6S,11cR)-3,3,6-trimethyl-1,2,4,4a,5,6,7,11c-octahydroindolo[2,3-c]quinoline (PubChem CID 11872056) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is (4aS,6S,11cR)-3,3,6-trimethyl-1,2,4,4a,5,6,7,11c-octahydroindolo[2,3-c]quinoline.

Molecular Properties

Compound Name(4aS,6S,11cR)-3,3,6-trimethyl-1,2,4,4a,5,6,7,11c-octahydroindolo[2,3-c]quinoline
PubChem CID11872056
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name(4aS,6S,11cR)-3,3,6-trimethyl-1,2,4,4a,5,6,7,11c-octahydroindolo[2,3-c]quinoline
SMILESC[C@@H]1N[C@H]2CC(C)(C)CC[C@@H]2c2c1[nH]c1ccccc21
InChIInChI=1S/C18H24N2/c1-11-17-16(12-6-4-5-7-14(12)20-17)13-8-9-18(2,3)10-15(13)19-11/h4-7,11,13,15,19-20H,8-10H2,1-3H3/t11-,13-,15-/m0/s1
InChIKeyGAYOPOORDLRTFT-WHOFXGATSA-N
XLogP4.49
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4aS,6S,11cR)-3,3,6-trimethyl-1,2,4,4a,5,6,7,11c-octahydroindolo[2,3-c]quinoline?
The IUPAC name of (4aS,6S,11cR)-3,3,6-trimethyl-1,2,4,4a,5,6,7,11c-octahydroindolo[2,3-c]quinoline (CID 11872056) is (4aS,6S,11cR)-3,3,6-trimethyl-1,2,4,4a,5,6,7,11c-octahydroindolo[2,3-c]quinoline.
What is the SMILES notation for (4aS,6S,11cR)-3,3,6-trimethyl-1,2,4,4a,5,6,7,11c-octahydroindolo[2,3-c]quinoline?
The canonical SMILES for (4aS,6S,11cR)-3,3,6-trimethyl-1,2,4,4a,5,6,7,11c-octahydroindolo[2,3-c]quinoline is C[C@@H]1N[C@H]2CC(C)(C)CC[C@@H]2c2c1[nH]c1ccccc21.
What is the InChIKey of (4aS,6S,11cR)-3,3,6-trimethyl-1,2,4,4a,5,6,7,11c-octahydroindolo[2,3-c]quinoline?
The InChIKey is GAYOPOORDLRTFT-WHOFXGATSA-N. The full InChI is InChI=1S/C18H24N2/c1-11-17-16(12-6-4-5-7-14(12)20-17)13-8-9-18(2,3)10-15(13)19-11/h4-7,11,13,15,19-20H,8-10H2,1-3H3/t11-,13-,15-/m0/s1.
What are the key properties of (4aS,6S,11cR)-3,3,6-trimethyl-1,2,4,4a,5,6,7,11c-octahydroindolo[2,3-c]quinoline?
(4aS,6S,11cR)-3,3,6-trimethyl-1,2,4,4a,5,6,7,11c-octahydroindolo[2,3-c]quinoline has a molecular weight of 268.40 g/mol, XLogP of 4.49, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,6S,11cR)-3,3,6-trimethyl-1,2,4,4a,5,6,7,11c-octahydroindolo[2,3-c]quinoline is sourced from PubChem (CID 11872056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).