3-methyl-6-nonan-3-yl-3,4-dihydro-2H-quinoline-1-carbaldehyde

C20H31NO — CID 170151195

IUPAC3-methyl-6-nonan-3-yl-3,4-dihydro-2H-quinoline-1-carbaldehyde
SMILESCCCCCCC(CC)c1ccc2c(c1)CC(C)CN2C=O
InChIInChI=1S/C20H31NO/c1-4-6-7-8-9-17(5-2)18-10-11-20-19(13-18)12-16(3)14-21(20)15-22/h10-11,13,15-17H,4-9,12,14H2,1-3H3
InChIKeyQDTGXEHPMASKLH-UHFFFAOYSA-N
MW301.47 g/mol
LogP5.31
Rot. Bonds8

About 3-methyl-6-nonan-3-yl-3,4-dihydro-2H-quinoline-1-carbaldehyde

3-methyl-6-nonan-3-yl-3,4-dihydro-2H-quinoline-1-carbaldehyde (PubChem CID 170151195) has the molecular formula C20H31NO and a molecular weight of 301.47 g/mol. Its IUPAC name is 3-methyl-6-nonan-3-yl-3,4-dihydro-2H-quinoline-1-carbaldehyde.

Molecular Properties

Compound Name3-methyl-6-nonan-3-yl-3,4-dihydro-2H-quinoline-1-carbaldehyde
PubChem CID170151195
Molecular FormulaC20H31NO
Molecular Weight301.47 g/mol
Exact Mass301.24
IUPAC Name3-methyl-6-nonan-3-yl-3,4-dihydro-2H-quinoline-1-carbaldehyde
SMILESCCCCCCC(CC)c1ccc2c(c1)CC(C)CN2C=O
InChIInChI=1S/C20H31NO/c1-4-6-7-8-9-17(5-2)18-10-11-20-19(13-18)12-16(3)14-21(20)15-22/h10-11,13,15-17H,4-9,12,14H2,1-3H3
InChIKeyQDTGXEHPMASKLH-UHFFFAOYSA-N
XLogP5.31
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.47
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-methyl-6-nonan-3-yl-3,4-dihydro-2H-quinoline-1-carbaldehyde 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 3-methyl-6-nonan-3-yl-3,4-dihydro-2H-quinoline-1-carbaldehyde?
The IUPAC name of 3-methyl-6-nonan-3-yl-3,4-dihydro-2H-quinoline-1-carbaldehyde (CID 170151195) is 3-methyl-6-nonan-3-yl-3,4-dihydro-2H-quinoline-1-carbaldehyde.
What is the SMILES notation for 3-methyl-6-nonan-3-yl-3,4-dihydro-2H-quinoline-1-carbaldehyde?
The canonical SMILES for 3-methyl-6-nonan-3-yl-3,4-dihydro-2H-quinoline-1-carbaldehyde is CCCCCCC(CC)c1ccc2c(c1)CC(C)CN2C=O.
What is the InChIKey of 3-methyl-6-nonan-3-yl-3,4-dihydro-2H-quinoline-1-carbaldehyde?
The InChIKey is QDTGXEHPMASKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO/c1-4-6-7-8-9-17(5-2)18-10-11-20-19(13-18)12-16(3)14-21(20)15-22/h10-11,13,15-17H,4-9,12,14H2,1-3H3.
What are the key properties of 3-methyl-6-nonan-3-yl-3,4-dihydro-2H-quinoline-1-carbaldehyde?
3-methyl-6-nonan-3-yl-3,4-dihydro-2H-quinoline-1-carbaldehyde has a molecular weight of 301.47 g/mol, XLogP of 5.31, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-nonan-3-yl-3,4-dihydro-2H-quinoline-1-carbaldehyde is sourced from PubChem (CID 170151195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).