2-undecyl-2,3-dihydro-1H-benzo[de]quinoline

C23H33N — CID 57090472

IUPAC2-undecyl-2,3-dihydro-1H-benzo[de]quinoline
SMILESCCCCCCCCCCCC1Cc2cccc3cccc(c23)N1
InChIInChI=1S/C23H33N/c1-2-3-4-5-6-7-8-9-10-16-21-18-20-15-11-13-19-14-12-17-22(24-21)23(19)20/h11-15,17,21,24H,2-10,16,18H2,1H3
InChIKeyCLBLJYQVARQFTD-UHFFFAOYSA-N
MW323.52 g/mol
LogP7.10
Rot. Bonds10

About 2-undecyl-2,3-dihydro-1H-benzo[de]quinoline

2-undecyl-2,3-dihydro-1H-benzo[de]quinoline (PubChem CID 57090472) has the molecular formula C23H33N and a molecular weight of 323.52 g/mol. Its IUPAC name is 2-undecyl-2,3-dihydro-1H-benzo[de]quinoline.

Molecular Properties

Compound Name2-undecyl-2,3-dihydro-1H-benzo[de]quinoline
PubChem CID57090472
Molecular FormulaC23H33N
Molecular Weight323.52 g/mol
Exact Mass323.26
IUPAC Name2-undecyl-2,3-dihydro-1H-benzo[de]quinoline
SMILESCCCCCCCCCCCC1Cc2cccc3cccc(c23)N1
InChIInChI=1S/C23H33N/c1-2-3-4-5-6-7-8-9-10-16-21-18-20-15-11-13-19-14-12-17-22(24-21)23(19)20/h11-15,17,21,24H,2-10,16,18H2,1H3
InChIKeyCLBLJYQVARQFTD-UHFFFAOYSA-N
XLogP7.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.52
LogP ≤ 57.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-undecyl-2,3-dihydro-1H-benzo[de]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-nonyl-2,3-dihydro-1H-indole
CID 65041926
(2S)-2-pentyl-1,2,3,4-tetrahydroquinoline
CID 15606332
(2R)-2-pentyl-2,3-dihydro-1H-quinolin-4-one
CID 53304941
(2S)-2-undecyl-2,3-dihydro-1H-indole-4-carboxylic acid
CID 70486415
(2S)-2-pentadecyl-2,3-dihydro-1H-indole-5-carboxylic acid
CID 70487224
(2S)-2-decyl-2,3-dihydro-1H-indole-6-carboxylic acid
CID 70486702
N-(2,3-dihydro-1H-indol-2-ylmethyl)octan-1-amine
CID 115568741
2-hexyl-3-methyl-1,2,3,4-tetrahydroquinoline
CID 106778414
3-(2,3-dihydro-1H-indol-2-yl)propan-1-ol
CID 10976039
8-tetradecyl-7-azabicyclo[4.2.0]octa-1,3,5-triene
CID 21292499
2-hexyl-6-phenylpiperidine
CID 102584089
(2S)-6-methyl-2-nonyl-2,3-dihydro-1H-pyridin-4-one
CID 134861677

Frequently Asked Questions

What is the IUPAC name of 2-undecyl-2,3-dihydro-1H-benzo[de]quinoline?
The IUPAC name of 2-undecyl-2,3-dihydro-1H-benzo[de]quinoline (CID 57090472) is 2-undecyl-2,3-dihydro-1H-benzo[de]quinoline.
What is the SMILES notation for 2-undecyl-2,3-dihydro-1H-benzo[de]quinoline?
The canonical SMILES for 2-undecyl-2,3-dihydro-1H-benzo[de]quinoline is CCCCCCCCCCCC1Cc2cccc3cccc(c23)N1.
What is the InChIKey of 2-undecyl-2,3-dihydro-1H-benzo[de]quinoline?
The InChIKey is CLBLJYQVARQFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N/c1-2-3-4-5-6-7-8-9-10-16-21-18-20-15-11-13-19-14-12-17-22(24-21)23(19)20/h11-15,17,21,24H,2-10,16,18H2,1H3.
What are the key properties of 2-undecyl-2,3-dihydro-1H-benzo[de]quinoline?
2-undecyl-2,3-dihydro-1H-benzo[de]quinoline has a molecular weight of 323.52 g/mol, XLogP of 7.10, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-undecyl-2,3-dihydro-1H-benzo[de]quinoline is sourced from PubChem (CID 57090472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).