2-(2-chloropropyl)-3-methylquinoline

C13H14ClN — CID 63228864

IUPAC2-(2-chloropropyl)-3-methylquinoline
SMILESCc1cc2ccccc2nc1CC(C)Cl
InChIInChI=1S/C13H14ClN/c1-9-7-11-5-3-4-6-12(11)15-13(9)8-10(2)14/h3-7,10H,8H2,1-2H3
InChIKeyZKLDLLYGMBJKQR-UHFFFAOYSA-N
MW219.72 g/mol
LogP3.71
Rot. Bonds2

About 2-(2-chloropropyl)-3-methylquinoline

2-(2-chloropropyl)-3-methylquinoline (PubChem CID 63228864) has the molecular formula C13H14ClN and a molecular weight of 219.72 g/mol. Its IUPAC name is 2-(2-chloropropyl)-3-methylquinoline.

Molecular Properties

Compound Name2-(2-chloropropyl)-3-methylquinoline
PubChem CID63228864
Molecular FormulaC13H14ClN
Molecular Weight219.72 g/mol
Exact Mass219.08
IUPAC Name2-(2-chloropropyl)-3-methylquinoline
SMILESCc1cc2ccccc2nc1CC(C)Cl
InChIInChI=1S/C13H14ClN/c1-9-7-11-5-3-4-6-12(11)15-13(9)8-10(2)14/h3-7,10H,8H2,1-2H3
InChIKeyZKLDLLYGMBJKQR-UHFFFAOYSA-N
XLogP3.71
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.72
LogP ≤ 53.71
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

1-(3-methylquinolin-2-yl)propan-2-ol
CID 63229408
2-(2-chloro-2-cyclopropylethyl)-3-methylquinoline
CID 63352781
3,3-dimethyl-1-(3-methylquinolin-2-yl)butan-2-amine
CID 63229243
2-(3-methylquinolin-2-yl)ethanol
CID 154179956
1-methoxy-N-methyl-3-(3-methylquinolin-2-yl)propan-2-amine
CID 63229318
2-(3-methylquinolin-2-yl)acetonitrile
CID 55167268
2-butyl-3-methylquinoline
CID 519104
5-bromo-2-(2-chloropropyl)-3-methylpyridine
CID 79717537
2-(3-methylquinolin-2-yl)pentan-3-ol
CID 63562501
2-(difluoromethyl)-3-methylquinoline
CID 154021471
3-methylquinoline-2-carbaldehyde
CID 22832126
3-methyl-2-[(4-methylpiperidin-1-yl)methyl]quinoline
CID 91331683

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloropropyl)-3-methylquinoline?
The IUPAC name of 2-(2-chloropropyl)-3-methylquinoline (CID 63228864) is 2-(2-chloropropyl)-3-methylquinoline.
What is the SMILES notation for 2-(2-chloropropyl)-3-methylquinoline?
The canonical SMILES for 2-(2-chloropropyl)-3-methylquinoline is Cc1cc2ccccc2nc1CC(C)Cl.
What is the InChIKey of 2-(2-chloropropyl)-3-methylquinoline?
The InChIKey is ZKLDLLYGMBJKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN/c1-9-7-11-5-3-4-6-12(11)15-13(9)8-10(2)14/h3-7,10H,8H2,1-2H3.
What are the key properties of 2-(2-chloropropyl)-3-methylquinoline?
2-(2-chloropropyl)-3-methylquinoline has a molecular weight of 219.72 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloropropyl)-3-methylquinoline is sourced from PubChem (CID 63228864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).