6-chloro-8-iodo-2-methyl-3-propan-2-ylquinolin-4-amine

C13H14ClIN2 — CID 107628850

IUPAC6-chloro-8-iodo-2-methyl-3-propan-2-ylquinolin-4-amine
SMILESCc1nc2c(I)cc(Cl)cc2c(N)c1C(C)C
InChIInChI=1S/C13H14ClIN2/c1-6(2)11-7(3)17-13-9(12(11)16)4-8(14)5-10(13)15/h4-6H,1-3H3,(H2,16,17)
InChIKeyTZJKBIOLVVYQLW-UHFFFAOYSA-N
MW360.63 g/mol
LogP4.51
Rot. Bonds1

About 6-chloro-8-iodo-2-methyl-3-propan-2-ylquinolin-4-amine

6-chloro-8-iodo-2-methyl-3-propan-2-ylquinolin-4-amine (PubChem CID 107628850) has the molecular formula C13H14ClIN2 and a molecular weight of 360.63 g/mol. Its IUPAC name is 6-chloro-8-iodo-2-methyl-3-propan-2-ylquinolin-4-amine.

Molecular Properties

Compound Name6-chloro-8-iodo-2-methyl-3-propan-2-ylquinolin-4-amine
PubChem CID107628850
Molecular FormulaC13H14ClIN2
Molecular Weight360.63 g/mol
Exact Mass359.99
IUPAC Name6-chloro-8-iodo-2-methyl-3-propan-2-ylquinolin-4-amine
SMILESCc1nc2c(I)cc(Cl)cc2c(N)c1C(C)C
InChIInChI=1S/C13H14ClIN2/c1-6(2)11-7(3)17-13-9(12(11)16)4-8(14)5-10(13)15/h4-6H,1-3H3,(H2,16,17)
InChIKeyTZJKBIOLVVYQLW-UHFFFAOYSA-N
XLogP4.51
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.63
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

8-bromo-2,6-dimethyl-3-propan-2-ylquinolin-4-amine
CID 62914764
6-iodo-2-methyl-3-propan-2-ylquinolin-4-amine
CID 62915309
5,7-dichloro-2-methyl-3-propan-2-ylquinolin-4-amine
CID 62913846
4,8-dichloro-6-iodo-2-methyl-3-propan-2-ylquinoline
CID 107607600
6-chloro-3-ethyl-8-fluoro-2-methylquinolin-4-amine
CID 62203950
8-methyl-9-propan-2-yl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinolin-10-amine
CID 62915674
6-fluoro-8-iodo-2-methyl-3-propan-2-yl-N-propylquinolin-4-amine
CID 79772075
6-chloro-8-iodoquinolin-4-amine
CID 107628509
7-fluoro-6-methoxy-2-methyl-3-propan-2-ylquinolin-4-amine
CID 113363415
6-bromo-2,5,7-trimethyl-3-propan-2-ylquinolin-4-amine
CID 107578725
7-chloro-5-iodo-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 107628867
4,6-dichloro-8-iodo-2-phenylquinoline
CID 107628258

Frequently Asked Questions

What is the IUPAC name of 6-chloro-8-iodo-2-methyl-3-propan-2-ylquinolin-4-amine?
The IUPAC name of 6-chloro-8-iodo-2-methyl-3-propan-2-ylquinolin-4-amine (CID 107628850) is 6-chloro-8-iodo-2-methyl-3-propan-2-ylquinolin-4-amine.
What is the SMILES notation for 6-chloro-8-iodo-2-methyl-3-propan-2-ylquinolin-4-amine?
The canonical SMILES for 6-chloro-8-iodo-2-methyl-3-propan-2-ylquinolin-4-amine is Cc1nc2c(I)cc(Cl)cc2c(N)c1C(C)C.
What is the InChIKey of 6-chloro-8-iodo-2-methyl-3-propan-2-ylquinolin-4-amine?
The InChIKey is TZJKBIOLVVYQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClIN2/c1-6(2)11-7(3)17-13-9(12(11)16)4-8(14)5-10(13)15/h4-6H,1-3H3,(H2,16,17).
What are the key properties of 6-chloro-8-iodo-2-methyl-3-propan-2-ylquinolin-4-amine?
6-chloro-8-iodo-2-methyl-3-propan-2-ylquinolin-4-amine has a molecular weight of 360.63 g/mol, XLogP of 4.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-8-iodo-2-methyl-3-propan-2-ylquinolin-4-amine is sourced from PubChem (CID 107628850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).