4,8-dichloro-6-iodo-2-methyl-3-propan-2-ylquinoline

C13H12Cl2IN — CID 107607600

IUPAC4,8-dichloro-6-iodo-2-methyl-3-propan-2-ylquinoline
SMILESCc1nc2c(Cl)cc(I)cc2c(Cl)c1C(C)C
InChIInChI=1S/C13H12Cl2IN/c1-6(2)11-7(3)17-13-9(12(11)15)4-8(16)5-10(13)14/h4-6H,1-3H3
InChIKeyXKXMGKOGRXPOPK-UHFFFAOYSA-N
MW380.06 g/mol
LogP5.58
Rot. Bonds1

About 4,8-dichloro-6-iodo-2-methyl-3-propan-2-ylquinoline

4,8-dichloro-6-iodo-2-methyl-3-propan-2-ylquinoline (PubChem CID 107607600) has the molecular formula C13H12Cl2IN and a molecular weight of 380.06 g/mol. Its IUPAC name is 4,8-dichloro-6-iodo-2-methyl-3-propan-2-ylquinoline.

Molecular Properties

Compound Name4,8-dichloro-6-iodo-2-methyl-3-propan-2-ylquinoline
PubChem CID107607600
Molecular FormulaC13H12Cl2IN
Molecular Weight380.06 g/mol
Exact Mass378.94
IUPAC Name4,8-dichloro-6-iodo-2-methyl-3-propan-2-ylquinoline
SMILESCc1nc2c(Cl)cc(I)cc2c(Cl)c1C(C)C
InChIInChI=1S/C13H12Cl2IN/c1-6(2)11-7(3)17-13-9(12(11)15)4-8(16)5-10(13)14/h4-6H,1-3H3
InChIKeyXKXMGKOGRXPOPK-UHFFFAOYSA-N
XLogP5.58
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.06
LogP ≤ 55.58
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-3-ethyl-6-iodo-2-methylquinoline
CID 107607583
8-chloro-6-iodo-2-propan-2-ylquinolin-4-amine
CID 107607874
4,5,8-trichloro-2-methyl-3-propan-2-ylquinoline
CID 55188455
4-chloro-6,7-difluoro-2-methyl-3-propan-2-ylquinoline
CID 62913699
6-chloro-8-iodo-2-methyl-3-propan-2-ylquinolin-4-amine
CID 107628850
4-chloro-8-methoxy-2-methyl-3-propan-2-ylquinoline
CID 62913697
6-tert-butyl-4-chloro-2-methyl-3-propan-2-ylquinoline
CID 63408659
4-chloro-5,6,8-trifluoro-2-methyl-3-propan-2-ylquinoline
CID 63409285
4-chloro-7-fluoro-2-methyl-3-propan-2-ylquinoline
CID 103996066
4,6,8-trichloro-2,3-dimethylquinoline
CID 63409062
8-chloro-6-iodo-2-propylquinolin-4-amine
CID 107607915
8-chloro-N-ethyl-6-iodo-2-methylquinolin-4-amine
CID 107607884

Frequently Asked Questions

What is the IUPAC name of 4,8-dichloro-6-iodo-2-methyl-3-propan-2-ylquinoline?
The IUPAC name of 4,8-dichloro-6-iodo-2-methyl-3-propan-2-ylquinoline (CID 107607600) is 4,8-dichloro-6-iodo-2-methyl-3-propan-2-ylquinoline.
What is the SMILES notation for 4,8-dichloro-6-iodo-2-methyl-3-propan-2-ylquinoline?
The canonical SMILES for 4,8-dichloro-6-iodo-2-methyl-3-propan-2-ylquinoline is Cc1nc2c(Cl)cc(I)cc2c(Cl)c1C(C)C.
What is the InChIKey of 4,8-dichloro-6-iodo-2-methyl-3-propan-2-ylquinoline?
The InChIKey is XKXMGKOGRXPOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2IN/c1-6(2)11-7(3)17-13-9(12(11)15)4-8(16)5-10(13)14/h4-6H,1-3H3.
What are the key properties of 4,8-dichloro-6-iodo-2-methyl-3-propan-2-ylquinoline?
4,8-dichloro-6-iodo-2-methyl-3-propan-2-ylquinoline has a molecular weight of 380.06 g/mol, XLogP of 5.58, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-dichloro-6-iodo-2-methyl-3-propan-2-ylquinoline is sourced from PubChem (CID 107607600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).