[(6aR,10aR)-7-methyl-6,6a,8,10a-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl cycloheptanecarboxylate

C24H30N2O2 — CID 10619669

IUPAC[(6aR,10aR)-7-methyl-6,6a,8,10a-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl cycloheptanecarboxylate
SMILESCN1CC(COC(=O)C2CCCCCC2)=C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21
InChIInChI=1S/C24H30N2O2/c1-26-14-16(15-28-24(27)17-7-4-2-3-5-8-17)11-20-19-9-6-10-21-23(19)18(13-25-21)12-22(20)26/h6,9-11,13,17,20,22,25H,2-5,7-8,12,14-15H2,1H3/t20-,22-/m1/s1
InChIKeyAYZDCPDBCVZISN-IFMALSPDSA-N
MW378.52 g/mol
LogP4.56
Rot. Bonds3

About [(6aR,10aR)-7-methyl-6,6a,8,10a-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl cycloheptanecarboxylate

[(6aR,10aR)-7-methyl-6,6a,8,10a-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl cycloheptanecarboxylate (PubChem CID 10619669) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is [(6aR,10aR)-7-methyl-6,6a,8,10a-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl cycloheptanecarboxylate.

Molecular Properties

Compound Name[(6aR,10aR)-7-methyl-6,6a,8,10a-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl cycloheptanecarboxylate
PubChem CID10619669
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Name[(6aR,10aR)-7-methyl-6,6a,8,10a-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl cycloheptanecarboxylate
SMILESCN1CC(COC(=O)C2CCCCCC2)=C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21
InChIInChI=1S/C24H30N2O2/c1-26-14-16(15-28-24(27)17-7-4-2-3-5-8-17)11-20-19-9-6-10-21-23(19)18(13-25-21)12-22(20)26/h6,9-11,13,17,20,22,25H,2-5,7-8,12,14-15H2,1H3/t20-,22-/m1/s1
InChIKeyAYZDCPDBCVZISN-IFMALSPDSA-N
XLogP4.56
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(6aR,10aR)-7-methyl-6,6a,8,10a-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl cycloheptanecarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(6aR,10aR)-7-methyl-6,6a,8,10a-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl cycloheptanecarboxylate?
The IUPAC name of [(6aR,10aR)-7-methyl-6,6a,8,10a-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl cycloheptanecarboxylate (CID 10619669) is [(6aR,10aR)-7-methyl-6,6a,8,10a-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl cycloheptanecarboxylate.
What is the SMILES notation for [(6aR,10aR)-7-methyl-6,6a,8,10a-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl cycloheptanecarboxylate?
The canonical SMILES for [(6aR,10aR)-7-methyl-6,6a,8,10a-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl cycloheptanecarboxylate is CN1CC(COC(=O)C2CCCCCC2)=C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21.
What is the InChIKey of [(6aR,10aR)-7-methyl-6,6a,8,10a-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl cycloheptanecarboxylate?
The InChIKey is AYZDCPDBCVZISN-IFMALSPDSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-26-14-16(15-28-24(27)17-7-4-2-3-5-8-17)11-20-19-9-6-10-21-23(19)18(13-25-21)12-22(20)26/h6,9-11,13,17,20,22,25H,2-5,7-8,12,14-15H2,1H3/t20-,22-/m1/s1.
What are the key properties of [(6aR,10aR)-7-methyl-6,6a,8,10a-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl cycloheptanecarboxylate?
[(6aR,10aR)-7-methyl-6,6a,8,10a-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl cycloheptanecarboxylate has a molecular weight of 378.52 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(6aR,10aR)-7-methyl-6,6a,8,10a-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl cycloheptanecarboxylate is sourced from PubChem (CID 10619669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).