[(6aR,10aR)-7-methyl-4-propan-2-yl-6,6a,8,10a-tetrahydroindolo[4,3-fg]quinolin-9-yl]methyl cyclopentanecarboxylate

C25H32N2O2 — CID 10548564

IUPAC[(6aR,10aR)-7-methyl-4-propan-2-yl-6,6a,8,10a-tetrahydroindolo[4,3-fg]quinolin-9-yl]methyl cyclopentanecarboxylate
SMILESCC(C)n1cc2c3c(cccc31)[C@H]1C=C(COC(=O)C3CCCC3)CN(C)[C@@H]1C2
InChIInChI=1S/C25H32N2O2/c1-16(2)27-14-19-12-23-21(20-9-6-10-22(27)24(19)20)11-17(13-26(23)3)15-29-25(28)18-7-4-5-8-18/h6,9-11,14,16,18,21,23H,4-5,7-8,12-13,15H2,1-3H3/t21-,23-/m1/s1
InChIKeyVHOCIKYVGXLBKW-FYYLOGMGSA-N
MW392.54 g/mol
LogP4.84
Rot. Bonds4

About [(6aR,10aR)-7-methyl-4-propan-2-yl-6,6a,8,10a-tetrahydroindolo[4,3-fg]quinolin-9-yl]methyl cyclopentanecarboxylate

[(6aR,10aR)-7-methyl-4-propan-2-yl-6,6a,8,10a-tetrahydroindolo[4,3-fg]quinolin-9-yl]methyl cyclopentanecarboxylate (PubChem CID 10548564) has the molecular formula C25H32N2O2 and a molecular weight of 392.54 g/mol. Its IUPAC name is [(6aR,10aR)-7-methyl-4-propan-2-yl-6,6a,8,10a-tetrahydroindolo[4,3-fg]quinolin-9-yl]methyl cyclopentanecarboxylate.

Molecular Properties

Compound Name[(6aR,10aR)-7-methyl-4-propan-2-yl-6,6a,8,10a-tetrahydroindolo[4,3-fg]quinolin-9-yl]methyl cyclopentanecarboxylate
PubChem CID10548564
Molecular FormulaC25H32N2O2
Molecular Weight392.54 g/mol
Exact Mass392.25
IUPAC Name[(6aR,10aR)-7-methyl-4-propan-2-yl-6,6a,8,10a-tetrahydroindolo[4,3-fg]quinolin-9-yl]methyl cyclopentanecarboxylate
SMILESCC(C)n1cc2c3c(cccc31)[C@H]1C=C(COC(=O)C3CCCC3)CN(C)[C@@H]1C2
InChIInChI=1S/C25H32N2O2/c1-16(2)27-14-19-12-23-21(20-9-6-10-22(27)24(19)20)11-17(13-26(23)3)15-29-25(28)18-7-4-5-8-18/h6,9-11,14,16,18,21,23H,4-5,7-8,12-13,15H2,1-3H3/t21-,23-/m1/s1
InChIKeyVHOCIKYVGXLBKW-FYYLOGMGSA-N
XLogP4.84
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.54
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(6aR,10aR)-7-methyl-4-propan-2-yl-6,6a,8,10a-tetrahydroindolo[4,3-fg]quinolin-9-yl]methyl cyclopentanecarboxylate?
The IUPAC name of [(6aR,10aR)-7-methyl-4-propan-2-yl-6,6a,8,10a-tetrahydroindolo[4,3-fg]quinolin-9-yl]methyl cyclopentanecarboxylate (CID 10548564) is [(6aR,10aR)-7-methyl-4-propan-2-yl-6,6a,8,10a-tetrahydroindolo[4,3-fg]quinolin-9-yl]methyl cyclopentanecarboxylate.
What is the SMILES notation for [(6aR,10aR)-7-methyl-4-propan-2-yl-6,6a,8,10a-tetrahydroindolo[4,3-fg]quinolin-9-yl]methyl cyclopentanecarboxylate?
The canonical SMILES for [(6aR,10aR)-7-methyl-4-propan-2-yl-6,6a,8,10a-tetrahydroindolo[4,3-fg]quinolin-9-yl]methyl cyclopentanecarboxylate is CC(C)n1cc2c3c(cccc31)[C@H]1C=C(COC(=O)C3CCCC3)CN(C)[C@@H]1C2.
What is the InChIKey of [(6aR,10aR)-7-methyl-4-propan-2-yl-6,6a,8,10a-tetrahydroindolo[4,3-fg]quinolin-9-yl]methyl cyclopentanecarboxylate?
The InChIKey is VHOCIKYVGXLBKW-FYYLOGMGSA-N. The full InChI is InChI=1S/C25H32N2O2/c1-16(2)27-14-19-12-23-21(20-9-6-10-22(27)24(19)20)11-17(13-26(23)3)15-29-25(28)18-7-4-5-8-18/h6,9-11,14,16,18,21,23H,4-5,7-8,12-13,15H2,1-3H3/t21-,23-/m1/s1.
What are the key properties of [(6aR,10aR)-7-methyl-4-propan-2-yl-6,6a,8,10a-tetrahydroindolo[4,3-fg]quinolin-9-yl]methyl cyclopentanecarboxylate?
[(6aR,10aR)-7-methyl-4-propan-2-yl-6,6a,8,10a-tetrahydroindolo[4,3-fg]quinolin-9-yl]methyl cyclopentanecarboxylate has a molecular weight of 392.54 g/mol, XLogP of 4.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(6aR,10aR)-7-methyl-4-propan-2-yl-6,6a,8,10a-tetrahydroindolo[4,3-fg]quinolin-9-yl]methyl cyclopentanecarboxylate is sourced from PubChem (CID 10548564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).