(6aR,9R)-N,N-diethyl-7-(pyridin-3-ylmethyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide

C25H28N4O — CID 172577856

IUPAC(6aR,9R)-N,N-diethyl-7-(pyridin-3-ylmethyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(Cc2cccnc2)C1
InChIInChI=1S/C25H28N4O/c1-3-28(4-2)25(30)19-11-21-20-8-5-9-22-24(20)18(14-27-22)12-23(21)29(16-19)15-17-7-6-10-26-13-17/h5-11,13-14,19,23,27H,3-4,12,15-16H2,1-2H3/t19-,23-/m1/s1
InChIKeyUDFZGXBTOAXLRX-AUSIDOKSSA-N
MW400.53 g/mol
LogP3.87
Rot. Bonds5

About (6aR,9R)-N,N-diethyl-7-(pyridin-3-ylmethyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide

(6aR,9R)-N,N-diethyl-7-(pyridin-3-ylmethyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide (PubChem CID 172577856) has the molecular formula C25H28N4O and a molecular weight of 400.53 g/mol. Its IUPAC name is (6aR,9R)-N,N-diethyl-7-(pyridin-3-ylmethyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide.

Molecular Properties

Compound Name(6aR,9R)-N,N-diethyl-7-(pyridin-3-ylmethyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
PubChem CID172577856
Molecular FormulaC25H28N4O
Molecular Weight400.53 g/mol
Exact Mass400.23
IUPAC Name(6aR,9R)-N,N-diethyl-7-(pyridin-3-ylmethyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(Cc2cccnc2)C1
InChIInChI=1S/C25H28N4O/c1-3-28(4-2)25(30)19-11-21-20-8-5-9-22-24(20)18(14-27-22)12-23(21)29(16-19)15-17-7-6-10-26-13-17/h5-11,13-14,19,23,27H,3-4,12,15-16H2,1-2H3/t19-,23-/m1/s1
InChIKeyUDFZGXBTOAXLRX-AUSIDOKSSA-N
XLogP3.87
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (6aR,9R)-N,N-diethyl-7-(pyridin-3-ylmethyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide 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,9R)-N,N-diethyl-7-(pyridin-3-ylmethyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide?
The IUPAC name of (6aR,9R)-N,N-diethyl-7-(pyridin-3-ylmethyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide (CID 172577856) is (6aR,9R)-N,N-diethyl-7-(pyridin-3-ylmethyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide.
What is the SMILES notation for (6aR,9R)-N,N-diethyl-7-(pyridin-3-ylmethyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide?
The canonical SMILES for (6aR,9R)-N,N-diethyl-7-(pyridin-3-ylmethyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide is CCN(CC)C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(Cc2cccnc2)C1.
What is the InChIKey of (6aR,9R)-N,N-diethyl-7-(pyridin-3-ylmethyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide?
The InChIKey is UDFZGXBTOAXLRX-AUSIDOKSSA-N. The full InChI is InChI=1S/C25H28N4O/c1-3-28(4-2)25(30)19-11-21-20-8-5-9-22-24(20)18(14-27-22)12-23(21)29(16-19)15-17-7-6-10-26-13-17/h5-11,13-14,19,23,27H,3-4,12,15-16H2,1-2H3/t19-,23-/m1/s1.
What are the key properties of (6aR,9R)-N,N-diethyl-7-(pyridin-3-ylmethyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide?
(6aR,9R)-N,N-diethyl-7-(pyridin-3-ylmethyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide has a molecular weight of 400.53 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR,9R)-N,N-diethyl-7-(pyridin-3-ylmethyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide is sourced from PubChem (CID 172577856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).