N-[(6aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-yl]acetamide

C16H19N3O — CID 54536481

IUPACN-[(6aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-yl]acetamide
SMILESCC(=O)NC1CN[C@@H]2Cc3c[nH]c4cccc(c34)C2C1
InChIInChI=1S/C16H19N3O/c1-9(20)19-11-6-13-12-3-2-4-14-16(12)10(7-17-14)5-15(13)18-8-11/h2-4,7,11,13,15,17-18H,5-6,8H2,1H3,(H,19,20)/t11?,13?,15-/m1/s1
InChIKeyZADGEPIYRMHLJX-ABIUDSBCSA-N
MW269.35 g/mol
LogP1.67
Rot. Bonds1

About N-[(6aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-yl]acetamide

N-[(6aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-yl]acetamide (PubChem CID 54536481) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N-[(6aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-yl]acetamide.

Molecular Properties

Compound NameN-[(6aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-yl]acetamide
PubChem CID54536481
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN-[(6aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-yl]acetamide
SMILESCC(=O)NC1CN[C@@H]2Cc3c[nH]c4cccc(c34)C2C1
InChIInChI=1S/C16H19N3O/c1-9(20)19-11-6-13-12-3-2-4-14-16(12)10(7-17-14)5-15(13)18-8-11/h2-4,7,11,13,15,17-18H,5-6,8H2,1H3,(H,19,20)/t11?,13?,15-/m1/s1
InChIKeyZADGEPIYRMHLJX-ABIUDSBCSA-N
XLogP1.67
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze N-[(6aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-yl]acetamide 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 N-[(6aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-yl]acetamide?
The IUPAC name of N-[(6aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-yl]acetamide (CID 54536481) is N-[(6aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-yl]acetamide.
What is the SMILES notation for N-[(6aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-yl]acetamide?
The canonical SMILES for N-[(6aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-yl]acetamide is CC(=O)NC1CN[C@@H]2Cc3c[nH]c4cccc(c34)C2C1.
What is the InChIKey of N-[(6aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-yl]acetamide?
The InChIKey is ZADGEPIYRMHLJX-ABIUDSBCSA-N. The full InChI is InChI=1S/C16H19N3O/c1-9(20)19-11-6-13-12-3-2-4-14-16(12)10(7-17-14)5-15(13)18-8-11/h2-4,7,11,13,15,17-18H,5-6,8H2,1H3,(H,19,20)/t11?,13?,15-/m1/s1.
What are the key properties of N-[(6aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-yl]acetamide?
N-[(6aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-yl]acetamide has a molecular weight of 269.35 g/mol, XLogP of 1.67, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-yl]acetamide is sourced from PubChem (CID 54536481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).