5-(5,8-difluoro-4,4a,5,6-tetrahydro-1H-benzo[c]quinolizin-9-yl)-N,6-dimethylpyridin-3-amine

C20H21F2N3 — CID 166656742

IUPAC5-(5,8-difluoro-4,4a,5,6-tetrahydro-1H-benzo[c]quinolizin-9-yl)-N,6-dimethylpyridin-3-amine
SMILESCNc1cnc(C)c(-c2cc3c(cc2F)CC(F)C2CC=CCN32)c1
InChIInChI=1S/C20H21F2N3/c1-12-15(9-14(23-2)11-24-12)16-10-20-13(7-17(16)21)8-18(22)19-5-3-4-6-25(19)20/h3-4,7,9-11,18-19,23H,5-6,8H2,1-2H3
InChIKeyATUPOYWPIHODHF-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.27
Rot. Bonds2

About 5-(5,8-difluoro-4,4a,5,6-tetrahydro-1H-benzo[c]quinolizin-9-yl)-N,6-dimethylpyridin-3-amine

5-(5,8-difluoro-4,4a,5,6-tetrahydro-1H-benzo[c]quinolizin-9-yl)-N,6-dimethylpyridin-3-amine (PubChem CID 166656742) has the molecular formula C20H21F2N3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 5-(5,8-difluoro-4,4a,5,6-tetrahydro-1H-benzo[c]quinolizin-9-yl)-N,6-dimethylpyridin-3-amine.

Molecular Properties

Compound Name5-(5,8-difluoro-4,4a,5,6-tetrahydro-1H-benzo[c]quinolizin-9-yl)-N,6-dimethylpyridin-3-amine
PubChem CID166656742
Molecular FormulaC20H21F2N3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name5-(5,8-difluoro-4,4a,5,6-tetrahydro-1H-benzo[c]quinolizin-9-yl)-N,6-dimethylpyridin-3-amine
SMILESCNc1cnc(C)c(-c2cc3c(cc2F)CC(F)C2CC=CCN32)c1
InChIInChI=1S/C20H21F2N3/c1-12-15(9-14(23-2)11-24-12)16-10-20-13(7-17(16)21)8-18(22)19-5-3-4-6-25(19)20/h3-4,7,9-11,18-19,23H,5-6,8H2,1-2H3
InChIKeyATUPOYWPIHODHF-UHFFFAOYSA-N
XLogP4.27
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(5,8-difluoro-4,4a,5,6-tetrahydro-1H-benzo[c]quinolizin-9-yl)-N,6-dimethylpyridin-3-amine 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 5-(5,8-difluoro-4,4a,5,6-tetrahydro-1H-benzo[c]quinolizin-9-yl)-N,6-dimethylpyridin-3-amine?
The IUPAC name of 5-(5,8-difluoro-4,4a,5,6-tetrahydro-1H-benzo[c]quinolizin-9-yl)-N,6-dimethylpyridin-3-amine (CID 166656742) is 5-(5,8-difluoro-4,4a,5,6-tetrahydro-1H-benzo[c]quinolizin-9-yl)-N,6-dimethylpyridin-3-amine.
What is the SMILES notation for 5-(5,8-difluoro-4,4a,5,6-tetrahydro-1H-benzo[c]quinolizin-9-yl)-N,6-dimethylpyridin-3-amine?
The canonical SMILES for 5-(5,8-difluoro-4,4a,5,6-tetrahydro-1H-benzo[c]quinolizin-9-yl)-N,6-dimethylpyridin-3-amine is CNc1cnc(C)c(-c2cc3c(cc2F)CC(F)C2CC=CCN32)c1.
What is the InChIKey of 5-(5,8-difluoro-4,4a,5,6-tetrahydro-1H-benzo[c]quinolizin-9-yl)-N,6-dimethylpyridin-3-amine?
The InChIKey is ATUPOYWPIHODHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N3/c1-12-15(9-14(23-2)11-24-12)16-10-20-13(7-17(16)21)8-18(22)19-5-3-4-6-25(19)20/h3-4,7,9-11,18-19,23H,5-6,8H2,1-2H3.
What are the key properties of 5-(5,8-difluoro-4,4a,5,6-tetrahydro-1H-benzo[c]quinolizin-9-yl)-N,6-dimethylpyridin-3-amine?
5-(5,8-difluoro-4,4a,5,6-tetrahydro-1H-benzo[c]quinolizin-9-yl)-N,6-dimethylpyridin-3-amine has a molecular weight of 341.41 g/mol, XLogP of 4.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5,8-difluoro-4,4a,5,6-tetrahydro-1H-benzo[c]quinolizin-9-yl)-N,6-dimethylpyridin-3-amine is sourced from PubChem (CID 166656742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).