4,8-dichloro-3-ethyl-6-iodo-2-methylquinoline

C12H10Cl2IN — CID 107607583

IUPAC4,8-dichloro-3-ethyl-6-iodo-2-methylquinoline
SMILESCCc1c(C)nc2c(Cl)cc(I)cc2c1Cl
InChIInChI=1S/C12H10Cl2IN/c1-3-8-6(2)16-12-9(11(8)14)4-7(15)5-10(12)13/h4-5H,3H2,1-2H3
InChIKeyUHMHAWYYRAUFAC-UHFFFAOYSA-N
MW366.03 g/mol
LogP5.02
Rot. Bonds1

About 4,8-dichloro-3-ethyl-6-iodo-2-methylquinoline

4,8-dichloro-3-ethyl-6-iodo-2-methylquinoline (PubChem CID 107607583) has the molecular formula C12H10Cl2IN and a molecular weight of 366.03 g/mol. Its IUPAC name is 4,8-dichloro-3-ethyl-6-iodo-2-methylquinoline.

Molecular Properties

Compound Name4,8-dichloro-3-ethyl-6-iodo-2-methylquinoline
PubChem CID107607583
Molecular FormulaC12H10Cl2IN
Molecular Weight366.03 g/mol
Exact Mass364.92
IUPAC Name4,8-dichloro-3-ethyl-6-iodo-2-methylquinoline
SMILESCCc1c(C)nc2c(Cl)cc(I)cc2c1Cl
InChIInChI=1S/C12H10Cl2IN/c1-3-8-6(2)16-12-9(11(8)14)4-7(15)5-10(12)13/h4-5H,3H2,1-2H3
InChIKeyUHMHAWYYRAUFAC-UHFFFAOYSA-N
XLogP5.02
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.03
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4,8-dichloro-6-iodo-2-methyl-3-propan-2-ylquinoline
CID 107607600
8-chloro-N-ethyl-6-iodo-2-methylquinolin-4-amine
CID 107607884
4-chloro-3-ethyl-6-fluoro-8-methoxy-2-methylquinoline
CID 54967653
8-chloro-N,3-diethyl-6-fluoro-2-methylquinolin-4-amine
CID 55197104
4-chloro-3-ethyl-7-fluoro-2,6-dimethylquinoline
CID 103996076
(8-chloro-6-iodo-2-propylquinolin-4-yl)hydrazine
CID 107607953
8-chloro-6-iodo-2-propylquinolin-4-amine
CID 107607915
7,8-dichloro-3-ethyl-2-methylquinolin-4-amine
CID 62203586
4-chloro-3-ethyl-5,7,8-trifluoro-2-methylquinoline
CID 62814106
4,5-dichloro-3-ethyl-8-fluoro-2-methylquinoline
CID 63408775
4,6,8-trichloro-2,3-dimethylquinoline
CID 63409062
4-chloro-3-ethyl-5,8-difluoro-2,6-dimethylquinoline
CID 103587093

Frequently Asked Questions

What is the IUPAC name of 4,8-dichloro-3-ethyl-6-iodo-2-methylquinoline?
The IUPAC name of 4,8-dichloro-3-ethyl-6-iodo-2-methylquinoline (CID 107607583) is 4,8-dichloro-3-ethyl-6-iodo-2-methylquinoline.
What is the SMILES notation for 4,8-dichloro-3-ethyl-6-iodo-2-methylquinoline?
The canonical SMILES for 4,8-dichloro-3-ethyl-6-iodo-2-methylquinoline is CCc1c(C)nc2c(Cl)cc(I)cc2c1Cl.
What is the InChIKey of 4,8-dichloro-3-ethyl-6-iodo-2-methylquinoline?
The InChIKey is UHMHAWYYRAUFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2IN/c1-3-8-6(2)16-12-9(11(8)14)4-7(15)5-10(12)13/h4-5H,3H2,1-2H3.
What are the key properties of 4,8-dichloro-3-ethyl-6-iodo-2-methylquinoline?
4,8-dichloro-3-ethyl-6-iodo-2-methylquinoline has a molecular weight of 366.03 g/mol, XLogP of 5.02, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-dichloro-3-ethyl-6-iodo-2-methylquinoline is sourced from PubChem (CID 107607583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).