8-chloro-3-(2-chloroethyl)-2-(2-methyl-3-pyridinyl)quinoline

C17H14Cl2N2 — CID 69044074

IUPAC8-chloro-3-(2-chloroethyl)-2-(2-methyl-3-pyridinyl)quinoline
SMILESCc1ncccc1-c1nc2c(Cl)cccc2cc1CCCl
InChIInChI=1S/C17H14Cl2N2/c1-11-14(5-3-9-20-11)16-13(7-8-18)10-12-4-2-6-15(19)17(12)21-16/h2-6,9-10H,7-8H2,1H3
InChIKeyOPIBQEAUJRCKIR-UHFFFAOYSA-N
MW317.22 g/mol
LogP5.04
Rot. Bonds3

About 8-chloro-3-(2-chloroethyl)-2-(2-methyl-3-pyridinyl)quinoline

8-chloro-3-(2-chloroethyl)-2-(2-methyl-3-pyridinyl)quinoline (PubChem CID 69044074) has the molecular formula C17H14Cl2N2 and a molecular weight of 317.22 g/mol. Its IUPAC name is 8-chloro-3-(2-chloroethyl)-2-(2-methyl-3-pyridinyl)quinoline.

Molecular Properties

Compound Name8-chloro-3-(2-chloroethyl)-2-(2-methyl-3-pyridinyl)quinoline
PubChem CID69044074
Molecular FormulaC17H14Cl2N2
Molecular Weight317.22 g/mol
Exact Mass316.05
IUPAC Name8-chloro-3-(2-chloroethyl)-2-(2-methyl-3-pyridinyl)quinoline
SMILESCc1ncccc1-c1nc2c(Cl)cccc2cc1CCCl
InChIInChI=1S/C17H14Cl2N2/c1-11-14(5-3-9-20-11)16-13(7-8-18)10-12-4-2-6-15(19)17(12)21-16/h2-6,9-10H,7-8H2,1H3
InChIKeyOPIBQEAUJRCKIR-UHFFFAOYSA-N
XLogP5.04
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.22
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

8-chloro-3-ethyl-2-pyridin-2-ylquinoline
CID 70898648
[2-(2-methyl-3-pyridinyl)-8-methylsulfonylquinolin-3-yl]methanol
CID 66693225
1-(8-chloro-2-methylquinolin-3-yl)-N-methylmethanamine
CID 82242197
2-(8-chloro-2-methylquinolin-3-yl)acetic acid
CID 164563362
3-chloro-2-methylpyridine;dichloromethane
CID 174920232
3-(2-chloroethyl)-2-[3-(2-chloroethyl)-2-pyridinyl]pyridine
CID 177289121
2,8-dichloro-3-propylquinoline
CID 63531217
2-[8-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethanol
CID 69040990
N-[2-[8-chloro-2-(2-fluorophenyl)quinolin-3-yl]ethyl]-7H-purin-6-amine
CID 69046602
8-chloroquinoline;ethane
CID 142246255
8-chloro-3-(1-chloroethyl)-7-methyl-2-(2-methyl-3-pyridinyl)quinoline
CID 145483401
8-chloro-3-ethyl-2-propylquinoline
CID 12935082

Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-(2-chloroethyl)-2-(2-methyl-3-pyridinyl)quinoline?
The IUPAC name of 8-chloro-3-(2-chloroethyl)-2-(2-methyl-3-pyridinyl)quinoline (CID 69044074) is 8-chloro-3-(2-chloroethyl)-2-(2-methyl-3-pyridinyl)quinoline.
What is the SMILES notation for 8-chloro-3-(2-chloroethyl)-2-(2-methyl-3-pyridinyl)quinoline?
The canonical SMILES for 8-chloro-3-(2-chloroethyl)-2-(2-methyl-3-pyridinyl)quinoline is Cc1ncccc1-c1nc2c(Cl)cccc2cc1CCCl.
What is the InChIKey of 8-chloro-3-(2-chloroethyl)-2-(2-methyl-3-pyridinyl)quinoline?
The InChIKey is OPIBQEAUJRCKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2/c1-11-14(5-3-9-20-11)16-13(7-8-18)10-12-4-2-6-15(19)17(12)21-16/h2-6,9-10H,7-8H2,1H3.
What are the key properties of 8-chloro-3-(2-chloroethyl)-2-(2-methyl-3-pyridinyl)quinoline?
8-chloro-3-(2-chloroethyl)-2-(2-methyl-3-pyridinyl)quinoline has a molecular weight of 317.22 g/mol, XLogP of 5.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-(2-chloroethyl)-2-(2-methyl-3-pyridinyl)quinoline is sourced from PubChem (CID 69044074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).