4,8-dichloro-6-iodo-1,2,3,4-tetrahydroquinoline

C9H8Cl2IN — CID 130820660

IUPAC4,8-dichloro-6-iodo-1,2,3,4-tetrahydroquinoline
SMILESClc1cc(I)cc2c1NCCC2Cl
InChIInChI=1S/C9H8Cl2IN/c10-7-1-2-13-9-6(7)3-5(12)4-8(9)11/h3-4,7,13H,1-2H2
InChIKeyBRUMPOZUYSLGJG-UHFFFAOYSA-N
MW327.98 g/mol
LogP4.04
Rot. Bonds

About 4,8-dichloro-6-iodo-1,2,3,4-tetrahydroquinoline

4,8-dichloro-6-iodo-1,2,3,4-tetrahydroquinoline (PubChem CID 130820660) has the molecular formula C9H8Cl2IN and a molecular weight of 327.98 g/mol. Its IUPAC name is 4,8-dichloro-6-iodo-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name4,8-dichloro-6-iodo-1,2,3,4-tetrahydroquinoline
PubChem CID130820660
Molecular FormulaC9H8Cl2IN
Molecular Weight327.98 g/mol
Exact Mass326.91
IUPAC Name4,8-dichloro-6-iodo-1,2,3,4-tetrahydroquinoline
SMILESClc1cc(I)cc2c1NCCC2Cl
InChIInChI=1S/C9H8Cl2IN/c10-7-1-2-13-9-6(7)3-5(12)4-8(9)11/h3-4,7,13H,1-2H2
InChIKeyBRUMPOZUYSLGJG-UHFFFAOYSA-N
XLogP4.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.98
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

8-bromo-4,6-dichloro-1,2,3,4-tetrahydroquinoline
CID 131053038
4,7-dichloro-8-fluoro-1,2,3,4-tetrahydroquinoline
CID 130787900
8-chloro-6-fluoro-1,2,3,4-tetrahydroquinolin-4-amine
CID 131050920
(4R)-6-bromo-8-chloro-4-methyl-1,2,3,4-tetrahydroquinoline
CID 124676937
cycloheptane;3,5-dichloro-5,6,7,8-tetrahydropyrido[2,3-c]pyridazine
CID 162764573
2-(9-chloro-7-fluoro-2,3,4,5-tetrahydro-1H-1-benzazepin-5-yl)ethanamine
CID 83672660
3-(2-chloro-4-iodophenyl)cyclopentan-1-amine
CID 130045782
2-(9-chloro-2,3,4,5-tetrahydro-1H-1-benzazepin-5-yl)ethanamine
CID 82391727
5,7-dichloro-3-cyclobutyl-2,3-dihydro-1H-indole
CID 106986327
N-(2,6-dichloro-4-iodophenyl)-4,5-dihydro-1H-imidazol-3-ium-2-amine
CID 44577923
6-iodo-N-methyl-1,2,3,4-tetrahydroquinolin-4-amine
CID 130865583
7,8-dichloro-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
CID 79014766

Frequently Asked Questions

What is the IUPAC name of 4,8-dichloro-6-iodo-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 4,8-dichloro-6-iodo-1,2,3,4-tetrahydroquinoline (CID 130820660) is 4,8-dichloro-6-iodo-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 4,8-dichloro-6-iodo-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 4,8-dichloro-6-iodo-1,2,3,4-tetrahydroquinoline is Clc1cc(I)cc2c1NCCC2Cl.
What is the InChIKey of 4,8-dichloro-6-iodo-1,2,3,4-tetrahydroquinoline?
The InChIKey is BRUMPOZUYSLGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2IN/c10-7-1-2-13-9-6(7)3-5(12)4-8(9)11/h3-4,7,13H,1-2H2.
What are the key properties of 4,8-dichloro-6-iodo-1,2,3,4-tetrahydroquinoline?
4,8-dichloro-6-iodo-1,2,3,4-tetrahydroquinoline has a molecular weight of 327.98 g/mol, XLogP of 4.04, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-dichloro-6-iodo-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 130820660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).