1-decyl-4H-quinolizine

C19H29N — CID 140987271

IUPAC1-decyl-4H-quinolizine
SMILESCCCCCCCCCCC1=C2C=CC=CN2CC=C1
InChIInChI=1S/C19H29N/c1-2-3-4-5-6-7-8-9-13-18-14-12-17-20-16-11-10-15-19(18)20/h10-12,14-16H,2-9,13,17H2,1H3
InChIKeyNCPQVTNMUTZFRN-UHFFFAOYSA-N
MW271.45 g/mol
LogP5.73
Rot. Bonds9

About 1-decyl-4H-quinolizine

1-decyl-4H-quinolizine (PubChem CID 140987271) has the molecular formula C19H29N and a molecular weight of 271.45 g/mol. Its IUPAC name is 1-decyl-4H-quinolizine.

Molecular Properties

Compound Name1-decyl-4H-quinolizine
PubChem CID140987271
Molecular FormulaC19H29N
Molecular Weight271.45 g/mol
Exact Mass271.23
IUPAC Name1-decyl-4H-quinolizine
SMILESCCCCCCCCCCC1=C2C=CC=CN2CC=C1
InChIInChI=1S/C19H29N/c1-2-3-4-5-6-7-8-9-13-18-14-12-17-20-16-11-10-15-19(18)20/h10-12,14-16H,2-9,13,17H2,1H3
InChIKeyNCPQVTNMUTZFRN-UHFFFAOYSA-N
XLogP5.73
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.45
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-decyl-4H-quinolizine 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-decyl-4H-quinolizine?
The IUPAC name of 1-decyl-4H-quinolizine (CID 140987271) is 1-decyl-4H-quinolizine.
What is the SMILES notation for 1-decyl-4H-quinolizine?
The canonical SMILES for 1-decyl-4H-quinolizine is CCCCCCCCCCC1=C2C=CC=CN2CC=C1.
What is the InChIKey of 1-decyl-4H-quinolizine?
The InChIKey is NCPQVTNMUTZFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N/c1-2-3-4-5-6-7-8-9-13-18-14-12-17-20-16-11-10-15-19(18)20/h10-12,14-16H,2-9,13,17H2,1H3.
What are the key properties of 1-decyl-4H-quinolizine?
1-decyl-4H-quinolizine has a molecular weight of 271.45 g/mol, XLogP of 5.73, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decyl-4H-quinolizine is sourced from PubChem (CID 140987271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).