8-chloro-3-(1-chloroethyl)-7-methyl-2-(2-methyl-3-pyridinyl)quinoline

C18H16Cl2N2 — CID 145483401

IUPAC8-chloro-3-(1-chloroethyl)-7-methyl-2-(2-methyl-3-pyridinyl)quinoline
SMILESCc1ccc2cc(C(C)Cl)c(-c3cccnc3C)nc2c1Cl
InChIInChI=1S/C18H16Cl2N2/c1-10-6-7-13-9-15(11(2)19)18(22-17(13)16(10)20)14-5-4-8-21-12(14)3/h4-9,11H,1-3H3
InChIKeyWCIUMLNCDPGBKK-UHFFFAOYSA-N
MW331.25 g/mol
LogP5.87
Rot. Bonds2

About 8-chloro-3-(1-chloroethyl)-7-methyl-2-(2-methyl-3-pyridinyl)quinoline

8-chloro-3-(1-chloroethyl)-7-methyl-2-(2-methyl-3-pyridinyl)quinoline (PubChem CID 145483401) has the molecular formula C18H16Cl2N2 and a molecular weight of 331.25 g/mol. Its IUPAC name is 8-chloro-3-(1-chloroethyl)-7-methyl-2-(2-methyl-3-pyridinyl)quinoline.

Molecular Properties

Compound Name8-chloro-3-(1-chloroethyl)-7-methyl-2-(2-methyl-3-pyridinyl)quinoline
PubChem CID145483401
Molecular FormulaC18H16Cl2N2
Molecular Weight331.25 g/mol
Exact Mass330.07
IUPAC Name8-chloro-3-(1-chloroethyl)-7-methyl-2-(2-methyl-3-pyridinyl)quinoline
SMILESCc1ccc2cc(C(C)Cl)c(-c3cccnc3C)nc2c1Cl
InChIInChI=1S/C18H16Cl2N2/c1-10-6-7-13-9-15(11(2)19)18(22-17(13)16(10)20)14-5-4-8-21-12(14)3/h4-9,11H,1-3H3
InChIKeyWCIUMLNCDPGBKK-UHFFFAOYSA-N
XLogP5.87
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.25
LogP ≤ 55.87
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

2-(1-chloroethenyl)-5-(1-chloroethyl)-3-ethenyl-6-(2-methyl-3-pyridinyl)pyridine
CID 145483409
8-chloro-3-(2-chloroethyl)-2-(2-methyl-3-pyridinyl)quinoline
CID 69044074
6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-2,3-dimethylpyridine
CID 123542608
3-(3,5-dichlorophenyl)-2-methylpyridine
CID 90167646
3-(4-chloro-3-fluorophenyl)-2-methylpyridine
CID 90167635
bis(2,3-dimethyl-1,10-phenanthroline);hydrate
CID 174743751
2-methyl-6-(2-methyl-3-pyridinyl)quinoline
CID 90167611
2-methyl-4-(2-methyl-3-pyridinyl)benzaldehyde
CID 146405666
[2-(2-methyl-3-pyridinyl)-8-methylsulfonylquinolin-3-yl]methanol
CID 66693225
2-N-[1-[2-(2-chlorophenyl)-8-methylquinolin-3-yl]ethyl]-5-methylpyrimidine-2,4-diamine
CID 58506809
5-(1-chloroethyl)-4-methyl-2-pyridin-3-ylpyrimidine
CID 62771047
(2S,3S)-butane-2,3-diamine;1,10-phenanthroline;platinum(2+)
CID 59769200

Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-(1-chloroethyl)-7-methyl-2-(2-methyl-3-pyridinyl)quinoline?
The IUPAC name of 8-chloro-3-(1-chloroethyl)-7-methyl-2-(2-methyl-3-pyridinyl)quinoline (CID 145483401) is 8-chloro-3-(1-chloroethyl)-7-methyl-2-(2-methyl-3-pyridinyl)quinoline.
What is the SMILES notation for 8-chloro-3-(1-chloroethyl)-7-methyl-2-(2-methyl-3-pyridinyl)quinoline?
The canonical SMILES for 8-chloro-3-(1-chloroethyl)-7-methyl-2-(2-methyl-3-pyridinyl)quinoline is Cc1ccc2cc(C(C)Cl)c(-c3cccnc3C)nc2c1Cl.
What is the InChIKey of 8-chloro-3-(1-chloroethyl)-7-methyl-2-(2-methyl-3-pyridinyl)quinoline?
The InChIKey is WCIUMLNCDPGBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N2/c1-10-6-7-13-9-15(11(2)19)18(22-17(13)16(10)20)14-5-4-8-21-12(14)3/h4-9,11H,1-3H3.
What are the key properties of 8-chloro-3-(1-chloroethyl)-7-methyl-2-(2-methyl-3-pyridinyl)quinoline?
8-chloro-3-(1-chloroethyl)-7-methyl-2-(2-methyl-3-pyridinyl)quinoline has a molecular weight of 331.25 g/mol, XLogP of 5.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-(1-chloroethyl)-7-methyl-2-(2-methyl-3-pyridinyl)quinoline is sourced from PubChem (CID 145483401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).