2,7-dichloro-3-ethylquinoline

C11H9Cl2N — CID 39346010

IUPAC2,7-dichloro-3-ethylquinoline
SMILESCCc1cc2ccc(Cl)cc2nc1Cl
InChIInChI=1S/C11H9Cl2N/c1-2-7-5-8-3-4-9(12)6-10(8)14-11(7)13/h3-6H,2H2,1H3
InChIKeyCPMBFXPQWNYBMB-UHFFFAOYSA-N
MW226.11 g/mol
LogP4.10
Rot. Bonds1

About 2,7-dichloro-3-ethylquinoline

2,7-dichloro-3-ethylquinoline (PubChem CID 39346010) has the molecular formula C11H9Cl2N and a molecular weight of 226.11 g/mol. Its IUPAC name is 2,7-dichloro-3-ethylquinoline.

Molecular Properties

Compound Name2,7-dichloro-3-ethylquinoline
PubChem CID39346010
Molecular FormulaC11H9Cl2N
Molecular Weight226.11 g/mol
Exact Mass225.01
IUPAC Name2,7-dichloro-3-ethylquinoline
SMILESCCc1cc2ccc(Cl)cc2nc1Cl
InChIInChI=1S/C11H9Cl2N/c1-2-7-5-8-3-4-9(12)6-10(8)14-11(7)13/h3-6H,2H2,1H3
InChIKeyCPMBFXPQWNYBMB-UHFFFAOYSA-N
XLogP4.10
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.11
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(2-chloro-3-ethylquinolin-7-yl)methanol
CID 89489622
7-benzyl-2-chloro-3-ethylquinoline
CID 59459864
3-bromo-7-chloro-2-ethylquinoline
CID 123560307
2-chloro-3-[(4-chlorophenyl)sulfanylmethyl]-7-methylsulfanylquinoline
CID 7434035
7-chloro-2-ethylquinazoline
CID 167510442
2-chloro-3-ethylquinoline-6-sulfonyl chloride
CID 82045239
2,7-dichloro-3-(dichloromethyl)quinoline
CID 15142733
1-(2-chloro-3-ethylquinolin-6-yl)ethanamine
CID 82023652
3-(2-chloro-7-ethoxyquinolin-3-yl)propan-1-amine
CID 170868054
6-benzyl-2-chloro-3-ethylquinoline
CID 59459863
2-[(2-chloro-7-methylquinolin-3-yl)methylsulfanyl]ethanamine
CID 43249283
N-(5-chloro-2-methoxyphenyl)-2-(3-ethylquinolin-2-yl)sulfanylacetamide
CID 3207915

Frequently Asked Questions

What is the IUPAC name of 2,7-dichloro-3-ethylquinoline?
The IUPAC name of 2,7-dichloro-3-ethylquinoline (CID 39346010) is 2,7-dichloro-3-ethylquinoline.
What is the SMILES notation for 2,7-dichloro-3-ethylquinoline?
The canonical SMILES for 2,7-dichloro-3-ethylquinoline is CCc1cc2ccc(Cl)cc2nc1Cl.
What is the InChIKey of 2,7-dichloro-3-ethylquinoline?
The InChIKey is CPMBFXPQWNYBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N/c1-2-7-5-8-3-4-9(12)6-10(8)14-11(7)13/h3-6H,2H2,1H3.
What are the key properties of 2,7-dichloro-3-ethylquinoline?
2,7-dichloro-3-ethylquinoline has a molecular weight of 226.11 g/mol, XLogP of 4.10, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dichloro-3-ethylquinoline is sourced from PubChem (CID 39346010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).