4-chloro-2-decylquinoline

C19H26ClN — CID 171487257

IUPAC4-chloro-2-decylquinoline
SMILESCCCCCCCCCCc1cc(Cl)c2ccccc2n1
InChIInChI=1S/C19H26ClN/c1-2-3-4-5-6-7-8-9-12-16-15-18(20)17-13-10-11-14-19(17)21-16/h10-11,13-15H,2-9,12H2,1H3
InChIKeyKDSZJLMYJIXOFC-UHFFFAOYSA-N
MW303.88 g/mol
LogP6.57
Rot. Bonds9

About 4-chloro-2-decylquinoline

4-chloro-2-decylquinoline (PubChem CID 171487257) has the molecular formula C19H26ClN and a molecular weight of 303.88 g/mol. Its IUPAC name is 4-chloro-2-decylquinoline.

Molecular Properties

Compound Name4-chloro-2-decylquinoline
PubChem CID171487257
Molecular FormulaC19H26ClN
Molecular Weight303.88 g/mol
Exact Mass303.18
IUPAC Name4-chloro-2-decylquinoline
SMILESCCCCCCCCCCc1cc(Cl)c2ccccc2n1
InChIInChI=1S/C19H26ClN/c1-2-3-4-5-6-7-8-9-12-16-15-18(20)17-13-10-11-14-19(17)21-16/h10-11,13-15H,2-9,12H2,1H3
InChIKeyKDSZJLMYJIXOFC-UHFFFAOYSA-N
XLogP6.57
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.88
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-chloro-2-decylquinoline 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

4-ethyl-2-hexylquinoline
CID 143260250
2-nonylquinolin-4-olate
CID 162840210
2-hexyl-4-methylquinoline
CID 504074
2-pentylquinolin-4-amine
CID 14082309
2-chloro-4-pentadecylquinoline
CID 3679887
2-[5-(3-hexoxypropoxy)pentyl]quinolin-4-amine
CID 90318958
2-[(2-dodecylphenyl)methyl]-4-methylquinoline
CID 21119624
4-hexyl-2-methylquinoline
CID 12861362
4-chloro-2,3-didecylquinoline
CID 141080010
4-chloro-2-[2-(3-chlorophenyl)ethyl]quinoline
CID 23614355
4,5-dihydro-1,3-oxazole;2,4-dipentylquinoline
CID 174849155
2-octylquinoxaline
CID 141276580

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-decylquinoline?
The IUPAC name of 4-chloro-2-decylquinoline (CID 171487257) is 4-chloro-2-decylquinoline.
What is the SMILES notation for 4-chloro-2-decylquinoline?
The canonical SMILES for 4-chloro-2-decylquinoline is CCCCCCCCCCc1cc(Cl)c2ccccc2n1.
What is the InChIKey of 4-chloro-2-decylquinoline?
The InChIKey is KDSZJLMYJIXOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN/c1-2-3-4-5-6-7-8-9-12-16-15-18(20)17-13-10-11-14-19(17)21-16/h10-11,13-15H,2-9,12H2,1H3.
What are the key properties of 4-chloro-2-decylquinoline?
4-chloro-2-decylquinoline has a molecular weight of 303.88 g/mol, XLogP of 6.57, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-decylquinoline is sourced from PubChem (CID 171487257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).