1-[(6aR)-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]-2-morpholin-4-ylethanone

C22H29N3O2 — CID 54282584

IUPAC1-[(6aR)-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]-2-morpholin-4-ylethanone
SMILESCN1CC(C(=O)CN2CCOCC2)CC2c3cccc4c3c(cn4C)C[C@H]21
InChIInChI=1S/C22H29N3O2/c1-23-13-16-11-20-18(17-4-3-5-19(23)22(16)17)10-15(12-24(20)2)21(26)14-25-6-8-27-9-7-25/h3-5,13,15,18,20H,6-12,14H2,1-2H3/t15?,18?,20-/m1/s1
InChIKeyRRVBCOGQWXLOIF-PKUWUEBNSA-N
MW367.49 g/mol
LogP2.04
Rot. Bonds3

About 1-[(6aR)-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]-2-morpholin-4-ylethanone

1-[(6aR)-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]-2-morpholin-4-ylethanone (PubChem CID 54282584) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 1-[(6aR)-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]-2-morpholin-4-ylethanone.

Molecular Properties

Compound Name1-[(6aR)-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]-2-morpholin-4-ylethanone
PubChem CID54282584
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name1-[(6aR)-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]-2-morpholin-4-ylethanone
SMILESCN1CC(C(=O)CN2CCOCC2)CC2c3cccc4c3c(cn4C)C[C@H]21
InChIInChI=1S/C22H29N3O2/c1-23-13-16-11-20-18(17-4-3-5-19(23)22(16)17)10-15(12-24(20)2)21(26)14-25-6-8-27-9-7-25/h3-5,13,15,18,20H,6-12,14H2,1-2H3/t15?,18?,20-/m1/s1
InChIKeyRRVBCOGQWXLOIF-PKUWUEBNSA-N
XLogP2.04
TPSA37.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Analyze 1-[(6aR)-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]-2-morpholin-4-ylethanone 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 1-[(6aR)-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]-2-morpholin-4-ylethanone?
The IUPAC name of 1-[(6aR)-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]-2-morpholin-4-ylethanone (CID 54282584) is 1-[(6aR)-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]-2-morpholin-4-ylethanone.
What is the SMILES notation for 1-[(6aR)-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]-2-morpholin-4-ylethanone?
The canonical SMILES for 1-[(6aR)-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]-2-morpholin-4-ylethanone is CN1CC(C(=O)CN2CCOCC2)CC2c3cccc4c3c(cn4C)C[C@H]21.
What is the InChIKey of 1-[(6aR)-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]-2-morpholin-4-ylethanone?
The InChIKey is RRVBCOGQWXLOIF-PKUWUEBNSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-23-13-16-11-20-18(17-4-3-5-19(23)22(16)17)10-15(12-24(20)2)21(26)14-25-6-8-27-9-7-25/h3-5,13,15,18,20H,6-12,14H2,1-2H3/t15?,18?,20-/m1/s1.
What are the key properties of 1-[(6aR)-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]-2-morpholin-4-ylethanone?
1-[(6aR)-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]-2-morpholin-4-ylethanone has a molecular weight of 367.49 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6aR)-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]-2-morpholin-4-ylethanone is sourced from PubChem (CID 54282584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).