5-(3-chloro-4,4-dimethylpentyl)quinoline

C16H20ClN — CID 81222032

IUPAC5-(3-chloro-4,4-dimethylpentyl)quinoline
SMILESCC(C)(C)C(Cl)CCc1cccc2ncccc12
InChIInChI=1S/C16H20ClN/c1-16(2,3)15(17)10-9-12-6-4-8-14-13(12)7-5-11-18-14/h4-8,11,15H,9-10H2,1-3H3
InChIKeyLVRZCQHTZVKPDQ-UHFFFAOYSA-N
MW261.80 g/mol
LogP4.82
Rot. Bonds3

About 5-(3-chloro-4,4-dimethylpentyl)quinoline

5-(3-chloro-4,4-dimethylpentyl)quinoline (PubChem CID 81222032) has the molecular formula C16H20ClN and a molecular weight of 261.80 g/mol. Its IUPAC name is 5-(3-chloro-4,4-dimethylpentyl)quinoline.

Molecular Properties

Compound Name5-(3-chloro-4,4-dimethylpentyl)quinoline
PubChem CID81222032
Molecular FormulaC16H20ClN
Molecular Weight261.80 g/mol
Exact Mass261.13
IUPAC Name5-(3-chloro-4,4-dimethylpentyl)quinoline
SMILESCC(C)(C)C(Cl)CCc1cccc2ncccc12
InChIInChI=1S/C16H20ClN/c1-16(2,3)15(17)10-9-12-6-4-8-14-13(12)7-5-11-18-14/h4-8,11,15H,9-10H2,1-3H3
InChIKeyLVRZCQHTZVKPDQ-UHFFFAOYSA-N
XLogP4.82
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.80
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-(3-chloro-4,4-dimethylpentyl)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

8-(3-chloro-4,4-dimethylpentyl)quinoline
CID 81222111
8-(3-chloro-4,4-dimethylpentyl)isoquinoline
CID 103140904
2-methyl-N-(3-quinolin-5-ylpropyl)propan-2-amine
CID 81221155
N-methyl-2-quinolin-5-ylethanamine
CID 76694367
N-propyl-1-quinolin-5-ylhexan-3-amine
CID 81221861
ethane;5-ethylquinoline
CID 143401043
2-chloro-1-(3-chloro-4,4-dimethylpentyl)-3-fluorobenzene
CID 112654030
3-(3-chloro-4,4-dimethylpentyl)quinoline
CID 64507771
3-quinolin-5-ylpropanoic acid
CID 81224223
2-amino-5-quinolin-5-ylpentanamide
CID 174575975
ethane;N-methyl-1-quinolin-5-ylmethanamine
CID 163296401
1-(3-chloro-4,4-dimethylpentyl)-2-fluoro-3-methoxybenzene
CID 82812107

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4,4-dimethylpentyl)quinoline?
The IUPAC name of 5-(3-chloro-4,4-dimethylpentyl)quinoline (CID 81222032) is 5-(3-chloro-4,4-dimethylpentyl)quinoline.
What is the SMILES notation for 5-(3-chloro-4,4-dimethylpentyl)quinoline?
The canonical SMILES for 5-(3-chloro-4,4-dimethylpentyl)quinoline is CC(C)(C)C(Cl)CCc1cccc2ncccc12.
What is the InChIKey of 5-(3-chloro-4,4-dimethylpentyl)quinoline?
The InChIKey is LVRZCQHTZVKPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN/c1-16(2,3)15(17)10-9-12-6-4-8-14-13(12)7-5-11-18-14/h4-8,11,15H,9-10H2,1-3H3.
What are the key properties of 5-(3-chloro-4,4-dimethylpentyl)quinoline?
5-(3-chloro-4,4-dimethylpentyl)quinoline has a molecular weight of 261.80 g/mol, XLogP of 4.82, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4,4-dimethylpentyl)quinoline is sourced from PubChem (CID 81222032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).