4-chloro-6-ethyl-3-iodo-2-methylquinoline

C12H11ClIN — CID 121236850

IUPAC4-chloro-6-ethyl-3-iodo-2-methylquinoline
SMILESCCc1ccc2nc(C)c(I)c(Cl)c2c1
InChIInChI=1S/C12H11ClIN/c1-3-8-4-5-10-9(6-8)11(13)12(14)7(2)15-10/h4-6H,3H2,1-2H3
InChIKeyAKSXRPVPSGRLTC-UHFFFAOYSA-N
MW331.58 g/mol
LogP4.36
Rot. Bonds1

About 4-chloro-6-ethyl-3-iodo-2-methylquinoline

4-chloro-6-ethyl-3-iodo-2-methylquinoline (PubChem CID 121236850) has the molecular formula C12H11ClIN and a molecular weight of 331.58 g/mol. Its IUPAC name is 4-chloro-6-ethyl-3-iodo-2-methylquinoline.

Molecular Properties

Compound Name4-chloro-6-ethyl-3-iodo-2-methylquinoline
PubChem CID121236850
Molecular FormulaC12H11ClIN
Molecular Weight331.58 g/mol
Exact Mass330.96
IUPAC Name4-chloro-6-ethyl-3-iodo-2-methylquinoline
SMILESCCc1ccc2nc(C)c(I)c(Cl)c2c1
InChIInChI=1S/C12H11ClIN/c1-3-8-4-5-10-9(6-8)11(13)12(14)7(2)15-10/h4-6H,3H2,1-2H3
InChIKeyAKSXRPVPSGRLTC-UHFFFAOYSA-N
XLogP4.36
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.58
LogP ≤ 54.36
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

2-bromo-6-ethyl-4-methylquinoline
CID 82580979
4-chloro-2-(difluoromethyl)-6-ethylquinoline
CID 62892996
6-ethyl-N,4-dimethylquinolin-2-amine
CID 84619685
6-ethyl-2,4-diphenylquinoline
CID 132522547
2,6-diethyl-3-methylquinolin-4-amine
CID 63560722
2-chloro-6-ethyl-N-propan-2-ylquinazolin-4-amine
CID 114693032
3-bromo-6-ethyl-2-methyl-4-piperazin-1-ylquinoline;hydrochloride
CID 121236321
(6-ethyl-2-methylquinolin-4-yl)hydrazine
CID 17040004
4-(6-ethyl-2-methylquinolin-4-yl)butan-1-amine
CID 82577783
2-(6-ethyl-2-methylquinolin-4-yl)propan-2-amine
CID 82448244
4-chloro-6-ethyl-2-(2-fluoro-3-methylphenyl)quinazoline
CID 114590671
3,4-dichloro-2,6-dimethylquinoline
CID 54483448

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-ethyl-3-iodo-2-methylquinoline?
The IUPAC name of 4-chloro-6-ethyl-3-iodo-2-methylquinoline (CID 121236850) is 4-chloro-6-ethyl-3-iodo-2-methylquinoline.
What is the SMILES notation for 4-chloro-6-ethyl-3-iodo-2-methylquinoline?
The canonical SMILES for 4-chloro-6-ethyl-3-iodo-2-methylquinoline is CCc1ccc2nc(C)c(I)c(Cl)c2c1.
What is the InChIKey of 4-chloro-6-ethyl-3-iodo-2-methylquinoline?
The InChIKey is AKSXRPVPSGRLTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClIN/c1-3-8-4-5-10-9(6-8)11(13)12(14)7(2)15-10/h4-6H,3H2,1-2H3.
What are the key properties of 4-chloro-6-ethyl-3-iodo-2-methylquinoline?
4-chloro-6-ethyl-3-iodo-2-methylquinoline has a molecular weight of 331.58 g/mol, XLogP of 4.36, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-ethyl-3-iodo-2-methylquinoline is sourced from PubChem (CID 121236850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).