(6aR,10aR)-9-pyridazin-3-yl-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline

C18H18N4 — CID 70573336

IUPAC(6aR,10aR)-9-pyridazin-3-yl-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline
SMILESc1cnnc(C2CN[C@@H]3Cc4c[nH]c5cccc(c45)[C@H]3C2)c1
InChIInChI=1S/C18H18N4/c1-3-13-14-7-11(15-5-2-6-21-22-15)9-20-17(14)8-12-10-19-16(4-1)18(12)13/h1-6,10-11,14,17,19-20H,7-9H2/t11?,14-,17-/m1/s1
InChIKeyJHUGDJMJRBNYHG-GFADCJBXSA-N
MW290.37 g/mol
LogP2.74
Rot. Bonds1

About (6aR,10aR)-9-pyridazin-3-yl-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline

(6aR,10aR)-9-pyridazin-3-yl-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline (PubChem CID 70573336) has the molecular formula C18H18N4 and a molecular weight of 290.37 g/mol. Its IUPAC name is (6aR,10aR)-9-pyridazin-3-yl-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline.

Molecular Properties

Compound Name(6aR,10aR)-9-pyridazin-3-yl-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline
PubChem CID70573336
Molecular FormulaC18H18N4
Molecular Weight290.37 g/mol
Exact Mass290.15
IUPAC Name(6aR,10aR)-9-pyridazin-3-yl-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline
SMILESc1cnnc(C2CN[C@@H]3Cc4c[nH]c5cccc(c45)[C@H]3C2)c1
InChIInChI=1S/C18H18N4/c1-3-13-14-7-11(15-5-2-6-21-22-15)9-20-17(14)8-12-10-19-16(4-1)18(12)13/h1-6,10-11,14,17,19-20H,7-9H2/t11?,14-,17-/m1/s1
InChIKeyJHUGDJMJRBNYHG-GFADCJBXSA-N
XLogP2.74
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6aR,10aR)-9-pyridazin-3-yl-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline?
The IUPAC name of (6aR,10aR)-9-pyridazin-3-yl-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline (CID 70573336) is (6aR,10aR)-9-pyridazin-3-yl-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline.
What is the SMILES notation for (6aR,10aR)-9-pyridazin-3-yl-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline?
The canonical SMILES for (6aR,10aR)-9-pyridazin-3-yl-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline is c1cnnc(C2CN[C@@H]3Cc4c[nH]c5cccc(c45)[C@H]3C2)c1.
What is the InChIKey of (6aR,10aR)-9-pyridazin-3-yl-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline?
The InChIKey is JHUGDJMJRBNYHG-GFADCJBXSA-N. The full InChI is InChI=1S/C18H18N4/c1-3-13-14-7-11(15-5-2-6-21-22-15)9-20-17(14)8-12-10-19-16(4-1)18(12)13/h1-6,10-11,14,17,19-20H,7-9H2/t11?,14-,17-/m1/s1.
What are the key properties of (6aR,10aR)-9-pyridazin-3-yl-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline?
(6aR,10aR)-9-pyridazin-3-yl-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline has a molecular weight of 290.37 g/mol, XLogP of 2.74, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR,10aR)-9-pyridazin-3-yl-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline is sourced from PubChem (CID 70573336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).