3-(3-chloro-4-methylpentyl)quinoline

C15H18ClN — CID 64508881

IUPAC3-(3-chloro-4-methylpentyl)quinoline
SMILESCC(C)C(Cl)CCc1cnc2ccccc2c1
InChIInChI=1S/C15H18ClN/c1-11(2)14(16)8-7-12-9-13-5-3-4-6-15(13)17-10-12/h3-6,9-11,14H,7-8H2,1-2H3
InChIKeyMVUKZYVWUOTWJA-UHFFFAOYSA-N
MW247.77 g/mol
LogP4.43
Rot. Bonds4

About 3-(3-chloro-4-methylpentyl)quinoline

3-(3-chloro-4-methylpentyl)quinoline (PubChem CID 64508881) has the molecular formula C15H18ClN and a molecular weight of 247.77 g/mol. Its IUPAC name is 3-(3-chloro-4-methylpentyl)quinoline.

Molecular Properties

Compound Name3-(3-chloro-4-methylpentyl)quinoline
PubChem CID64508881
Molecular FormulaC15H18ClN
Molecular Weight247.77 g/mol
Exact Mass247.11
IUPAC Name3-(3-chloro-4-methylpentyl)quinoline
SMILESCC(C)C(Cl)CCc1cnc2ccccc2c1
InChIInChI=1S/C15H18ClN/c1-11(2)14(16)8-7-12-9-13-5-3-4-6-15(13)17-10-12/h3-6,9-11,14H,7-8H2,1-2H3
InChIKeyMVUKZYVWUOTWJA-UHFFFAOYSA-N
XLogP4.43
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.77
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(3-chloro-4,4-dimethylpentyl)quinoline
CID 64507771
3-(3-bromo-4,4-dimethylpentyl)quinoline
CID 64506762
3-(2-methylpropyl)quinoline
CID 12072851
2-quinolin-3-ylethanamine;hydrochloride
CID 68724239
3-(4-phenylpentyl)quinoline
CID 158257527
2-quinolin-3-ylethanol
CID 53403774
2-methyl-N-(2-quinolin-3-ylethyl)propan-1-amine
CID 62603664
3-(3,3-dimethylbutyl)quinoline
CID 58808300
3-(7-propan-2-ylsulfonylheptyl)quinoline
CID 158614787
2-methyl-3-quinolin-3-ylpropan-1-amine
CID 64664749
O-(3-quinolin-3-ylpropyl)hydroxylamine
CID 54489779
1-(quinolin-3-ylmethylamino)ethanol
CID 143559456

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methylpentyl)quinoline?
The IUPAC name of 3-(3-chloro-4-methylpentyl)quinoline (CID 64508881) is 3-(3-chloro-4-methylpentyl)quinoline.
What is the SMILES notation for 3-(3-chloro-4-methylpentyl)quinoline?
The canonical SMILES for 3-(3-chloro-4-methylpentyl)quinoline is CC(C)C(Cl)CCc1cnc2ccccc2c1.
What is the InChIKey of 3-(3-chloro-4-methylpentyl)quinoline?
The InChIKey is MVUKZYVWUOTWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN/c1-11(2)14(16)8-7-12-9-13-5-3-4-6-15(13)17-10-12/h3-6,9-11,14H,7-8H2,1-2H3.
What are the key properties of 3-(3-chloro-4-methylpentyl)quinoline?
3-(3-chloro-4-methylpentyl)quinoline has a molecular weight of 247.77 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-methylpentyl)quinoline is sourced from PubChem (CID 64508881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).