6-(2-chloroethyl)-3-methylquinoline

C12H12ClN — CID 116997430

IUPAC6-(2-chloroethyl)-3-methylquinoline
SMILESCc1cnc2ccc(CCCl)cc2c1
InChIInChI=1S/C12H12ClN/c1-9-6-11-7-10(4-5-13)2-3-12(11)14-8-9/h2-3,6-8H,4-5H2,1H3
InChIKeyWSDXJIBJYDJNCF-UHFFFAOYSA-N
MW205.69 g/mol
LogP3.32
Rot. Bonds2

About 6-(2-chloroethyl)-3-methylquinoline

6-(2-chloroethyl)-3-methylquinoline (PubChem CID 116997430) has the molecular formula C12H12ClN and a molecular weight of 205.69 g/mol. Its IUPAC name is 6-(2-chloroethyl)-3-methylquinoline.

Molecular Properties

Compound Name6-(2-chloroethyl)-3-methylquinoline
PubChem CID116997430
Molecular FormulaC12H12ClN
Molecular Weight205.69 g/mol
Exact Mass205.07
IUPAC Name6-(2-chloroethyl)-3-methylquinoline
SMILESCc1cnc2ccc(CCCl)cc2c1
InChIInChI=1S/C12H12ClN/c1-9-6-11-7-10(4-5-13)2-3-12(11)14-8-9/h2-3,6-8H,4-5H2,1H3
InChIKeyWSDXJIBJYDJNCF-UHFFFAOYSA-N
XLogP3.32
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.69
LogP ≤ 53.32
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-methylquinolin-6-yl)propanoic acid
CID 83886586
2-methyl-4-(3-methylquinolin-6-yl)butan-2-ol
CID 177184332
N-ethyl-2-(3-methylquinolin-6-yl)ethanamine
CID 116997407
4-(3-methylquinolin-6-yl)butan-2-amine
CID 116997396
1-(3-methylquinolin-6-yl)propan-2-amine
CID 83880771
6-(2-chloroethyl)quinoline
CID 53404433
6-(2-chloroethyl)-2,3-dimethylquinoxaline
CID 18436913
N-[(3-methylquinolin-6-yl)methyl]cyclopropanamine
CID 116997781
[1-[(3-methylquinolin-6-yl)methyl]cyclopropyl]methanol
CID 116997477
N-methyl-3-[(3-methylquinolin-6-yl)methyl]aniline
CID 116997422
3-methyl-6-(piperidin-4-ylmethyl)quinoline
CID 116997415
3-methyl-2-[(3-methylquinolin-6-yl)methyl]butanenitrile
CID 116997500

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloroethyl)-3-methylquinoline?
The IUPAC name of 6-(2-chloroethyl)-3-methylquinoline (CID 116997430) is 6-(2-chloroethyl)-3-methylquinoline.
What is the SMILES notation for 6-(2-chloroethyl)-3-methylquinoline?
The canonical SMILES for 6-(2-chloroethyl)-3-methylquinoline is Cc1cnc2ccc(CCCl)cc2c1.
What is the InChIKey of 6-(2-chloroethyl)-3-methylquinoline?
The InChIKey is WSDXJIBJYDJNCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN/c1-9-6-11-7-10(4-5-13)2-3-12(11)14-8-9/h2-3,6-8H,4-5H2,1H3.
What are the key properties of 6-(2-chloroethyl)-3-methylquinoline?
6-(2-chloroethyl)-3-methylquinoline has a molecular weight of 205.69 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloroethyl)-3-methylquinoline is sourced from PubChem (CID 116997430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).