6-tridecoxyquinoline

C22H33NO — CID 174908858

IUPAC6-tridecoxyquinoline
SMILESCCCCCCCCCCCCCOc1ccc2ncccc2c1
InChIInChI=1S/C22H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-18-24-21-15-16-22-20(19-21)14-13-17-23-22/h13-17,19H,2-12,18H2,1H3
InChIKeyFRSCBYGRPDUIRD-UHFFFAOYSA-N
MW327.51 g/mol
LogP6.92
Rot. Bonds13

About 6-tridecoxyquinoline

6-tridecoxyquinoline (PubChem CID 174908858) has the molecular formula C22H33NO and a molecular weight of 327.51 g/mol. Its IUPAC name is 6-tridecoxyquinoline.

Molecular Properties

Compound Name6-tridecoxyquinoline
PubChem CID174908858
Molecular FormulaC22H33NO
Molecular Weight327.51 g/mol
Exact Mass327.26
IUPAC Name6-tridecoxyquinoline
SMILESCCCCCCCCCCCCCOc1ccc2ncccc2c1
InChIInChI=1S/C22H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-18-24-21-15-16-22-20(19-21)14-13-17-23-22/h13-17,19H,2-12,18H2,1H3
InChIKeyFRSCBYGRPDUIRD-UHFFFAOYSA-N
XLogP6.92
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.51
LogP ≤ 56.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-tridecoxyquinoline 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

3-hexoxyacridine
CID 141299786
quinolin-6-yl N-hexylcarbamate
CID 11587138
4-(2-quinolin-6-yloxyethoxy)benzonitrile
CID 56799582
3-butoxy-8-hexoxybenzo[f]quinoline
CID 21267338
3-heptoxy-8-hexoxybenzo[f]quinoline
CID 21267303
6-prop-2-enoxyquinoline
CID 21107330
1-quinolin-6-yloxypropan-2-amine
CID 86262441
6-quinolin-7-yloxyhexan-1-ol
CID 107705479
1,3-dihexadecoxybenzene
CID 12686834
1-quinolin-6-yldecan-1-amine
CID 63418413
2-methyl-N-(2-quinolin-6-yloxyethyl)propanamide
CID 113102128
6-[(2-methylpropan-2-yl)oxy]quinoline
CID 59854598

Frequently Asked Questions

What is the IUPAC name of 6-tridecoxyquinoline?
The IUPAC name of 6-tridecoxyquinoline (CID 174908858) is 6-tridecoxyquinoline.
What is the SMILES notation for 6-tridecoxyquinoline?
The canonical SMILES for 6-tridecoxyquinoline is CCCCCCCCCCCCCOc1ccc2ncccc2c1.
What is the InChIKey of 6-tridecoxyquinoline?
The InChIKey is FRSCBYGRPDUIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-18-24-21-15-16-22-20(19-21)14-13-17-23-22/h13-17,19H,2-12,18H2,1H3.
What are the key properties of 6-tridecoxyquinoline?
6-tridecoxyquinoline has a molecular weight of 327.51 g/mol, XLogP of 6.92, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tridecoxyquinoline is sourced from PubChem (CID 174908858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).