N-butyl-7-(2-fluoroethyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide

C21H26FN3O — CID 166091847

IUPACN-butyl-7-(2-fluoroethyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
SMILESCCCCNC(=O)C1C=C2c3cccc4[nH]cc(c34)CC2N(CCF)C1
InChIInChI=1S/C21H26FN3O/c1-2-3-8-23-21(26)15-10-17-16-5-4-6-18-20(16)14(12-24-18)11-19(17)25(13-15)9-7-22/h4-6,10,12,15,19,24H,2-3,7-9,11,13H2,1H3,(H,23,26)
InChIKeyGYMOPWORKMDWFJ-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.29
Rot. Bonds6

About N-butyl-7-(2-fluoroethyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide

N-butyl-7-(2-fluoroethyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide (PubChem CID 166091847) has the molecular formula C21H26FN3O and a molecular weight of 355.46 g/mol. Its IUPAC name is N-butyl-7-(2-fluoroethyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide.

Molecular Properties

Compound NameN-butyl-7-(2-fluoroethyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
PubChem CID166091847
Molecular FormulaC21H26FN3O
Molecular Weight355.46 g/mol
Exact Mass355.21
IUPAC NameN-butyl-7-(2-fluoroethyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
SMILESCCCCNC(=O)C1C=C2c3cccc4[nH]cc(c34)CC2N(CCF)C1
InChIInChI=1S/C21H26FN3O/c1-2-3-8-23-21(26)15-10-17-16-5-4-6-18-20(16)14(12-24-18)11-19(17)25(13-15)9-7-22/h4-6,10,12,15,19,24H,2-3,7-9,11,13H2,1H3,(H,23,26)
InChIKeyGYMOPWORKMDWFJ-UHFFFAOYSA-N
XLogP3.29
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-butyl-7-(2-fluoroethyl)-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 N-butyl-7-(2-fluoroethyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide?
The IUPAC name of N-butyl-7-(2-fluoroethyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide (CID 166091847) is N-butyl-7-(2-fluoroethyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide.
What is the SMILES notation for N-butyl-7-(2-fluoroethyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide?
The canonical SMILES for N-butyl-7-(2-fluoroethyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide is CCCCNC(=O)C1C=C2c3cccc4[nH]cc(c34)CC2N(CCF)C1.
What is the InChIKey of N-butyl-7-(2-fluoroethyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide?
The InChIKey is GYMOPWORKMDWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O/c1-2-3-8-23-21(26)15-10-17-16-5-4-6-18-20(16)14(12-24-18)11-19(17)25(13-15)9-7-22/h4-6,10,12,15,19,24H,2-3,7-9,11,13H2,1H3,(H,23,26).
What are the key properties of N-butyl-7-(2-fluoroethyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide?
N-butyl-7-(2-fluoroethyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide has a molecular weight of 355.46 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-7-(2-fluoroethyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide is sourced from PubChem (CID 166091847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).