(6aR)-4,5,5a,6,6a,9,10,10a-octahydroindolo[4,3-fg]quinoline

C14H16N2 — CID 56625543

IUPAC(6aR)-4,5,5a,6,6a,9,10,10a-octahydroindolo[4,3-fg]quinoline
SMILESC1=N[C@@H]2CC3CNc4cccc(c43)C2CC1
InChIInChI=1S/C14H16N2/c1-3-11-10-4-2-6-15-13(10)7-9-8-16-12(5-1)14(9)11/h1,3,5-6,9-10,13,16H,2,4,7-8H2/t9?,10?,13-/m1/s1
InChIKeyVFAXXZZUZNUMAQ-SRHKJQAYSA-N
MW212.30 g/mol
LogP2.92
Rot. Bonds

About (6aR)-4,5,5a,6,6a,9,10,10a-octahydroindolo[4,3-fg]quinoline

(6aR)-4,5,5a,6,6a,9,10,10a-octahydroindolo[4,3-fg]quinoline (PubChem CID 56625543) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is (6aR)-4,5,5a,6,6a,9,10,10a-octahydroindolo[4,3-fg]quinoline.

Molecular Properties

Compound Name(6aR)-4,5,5a,6,6a,9,10,10a-octahydroindolo[4,3-fg]quinoline
PubChem CID56625543
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name(6aR)-4,5,5a,6,6a,9,10,10a-octahydroindolo[4,3-fg]quinoline
SMILESC1=N[C@@H]2CC3CNc4cccc(c43)C2CC1
InChIInChI=1S/C14H16N2/c1-3-11-10-4-2-6-15-13(10)7-9-8-16-12(5-1)14(9)11/h1,3,5-6,9-10,13,16H,2,4,7-8H2/t9?,10?,13-/m1/s1
InChIKeyVFAXXZZUZNUMAQ-SRHKJQAYSA-N
XLogP2.92
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6aR)-4,5,5a,6,6a,9,10,10a-octahydroindolo[4,3-fg]quinoline?
The IUPAC name of (6aR)-4,5,5a,6,6a,9,10,10a-octahydroindolo[4,3-fg]quinoline (CID 56625543) is (6aR)-4,5,5a,6,6a,9,10,10a-octahydroindolo[4,3-fg]quinoline.
What is the SMILES notation for (6aR)-4,5,5a,6,6a,9,10,10a-octahydroindolo[4,3-fg]quinoline?
The canonical SMILES for (6aR)-4,5,5a,6,6a,9,10,10a-octahydroindolo[4,3-fg]quinoline is C1=N[C@@H]2CC3CNc4cccc(c43)C2CC1.
What is the InChIKey of (6aR)-4,5,5a,6,6a,9,10,10a-octahydroindolo[4,3-fg]quinoline?
The InChIKey is VFAXXZZUZNUMAQ-SRHKJQAYSA-N. The full InChI is InChI=1S/C14H16N2/c1-3-11-10-4-2-6-15-13(10)7-9-8-16-12(5-1)14(9)11/h1,3,5-6,9-10,13,16H,2,4,7-8H2/t9?,10?,13-/m1/s1.
What are the key properties of (6aR)-4,5,5a,6,6a,9,10,10a-octahydroindolo[4,3-fg]quinoline?
(6aR)-4,5,5a,6,6a,9,10,10a-octahydroindolo[4,3-fg]quinoline has a molecular weight of 212.30 g/mol, XLogP of 2.92, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR)-4,5,5a,6,6a,9,10,10a-octahydroindolo[4,3-fg]quinoline is sourced from PubChem (CID 56625543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).