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

C12H12ClIN2 — CID 107607874

IUPAC8-chloro-6-iodo-2-propan-2-ylquinolin-4-amine
SMILESCC(C)c1cc(N)c2cc(I)cc(Cl)c2n1
InChIInChI=1S/C12H12ClIN2/c1-6(2)11-5-10(15)8-3-7(14)4-9(13)12(8)16-11/h3-6H,1-2H3,(H2,15,16)
InChIKeyMQXKRDMCWQGLOH-UHFFFAOYSA-N
MW346.60 g/mol
LogP4.20
Rot. Bonds1

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

8-chloro-6-iodo-2-propan-2-ylquinolin-4-amine (PubChem CID 107607874) has the molecular formula C12H12ClIN2 and a molecular weight of 346.60 g/mol. Its IUPAC name is 8-chloro-6-iodo-2-propan-2-ylquinolin-4-amine.

Molecular Properties

Compound Name8-chloro-6-iodo-2-propan-2-ylquinolin-4-amine
PubChem CID107607874
Molecular FormulaC12H12ClIN2
Molecular Weight346.60 g/mol
Exact Mass345.97
IUPAC Name8-chloro-6-iodo-2-propan-2-ylquinolin-4-amine
SMILESCC(C)c1cc(N)c2cc(I)cc(Cl)c2n1
InChIInChI=1S/C12H12ClIN2/c1-6(2)11-5-10(15)8-3-7(14)4-9(13)12(8)16-11/h3-6H,1-2H3,(H2,15,16)
InChIKeyMQXKRDMCWQGLOH-UHFFFAOYSA-N
XLogP4.20
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.60
LogP ≤ 54.20
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-chloro-6-iodo-2-propylquinolin-4-amine
CID 107607915
4,8-dichloro-6-iodo-2-methyl-3-propan-2-ylquinoline
CID 107607600
4,8-dichloro-6-methyl-2-propan-2-ylquinoline
CID 43668494
8-methyl-2-propan-2-ylquinolin-4-amine
CID 62198205
(8-chloro-6-fluoro-2-propan-2-ylquinolin-4-yl)hydrazine
CID 62250595
7-fluoro-8-methyl-2-propan-2-ylquinolin-4-amine
CID 62196606
4,5,6,8-tetrachloro-2-propan-2-ylquinoline
CID 43668528
(7-chloro-8-methyl-2-propan-2-ylquinolin-4-yl)methanamine
CID 82449533
4,8-dichloro-3-ethyl-6-iodo-2-methylquinoline
CID 107607583
N-[(8-chloro-2-propan-2-ylquinolin-4-yl)methyl]propan-2-amine
CID 82448950
(8-chloro-6-iodo-2-propylquinolin-4-yl)hydrazine
CID 107607953
6-bromo-2-propan-2-ylquinolin-4-amine
CID 62196777

Frequently Asked Questions

What is the IUPAC name of 8-chloro-6-iodo-2-propan-2-ylquinolin-4-amine?
The IUPAC name of 8-chloro-6-iodo-2-propan-2-ylquinolin-4-amine (CID 107607874) is 8-chloro-6-iodo-2-propan-2-ylquinolin-4-amine.
What is the SMILES notation for 8-chloro-6-iodo-2-propan-2-ylquinolin-4-amine?
The canonical SMILES for 8-chloro-6-iodo-2-propan-2-ylquinolin-4-amine is CC(C)c1cc(N)c2cc(I)cc(Cl)c2n1.
What is the InChIKey of 8-chloro-6-iodo-2-propan-2-ylquinolin-4-amine?
The InChIKey is MQXKRDMCWQGLOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClIN2/c1-6(2)11-5-10(15)8-3-7(14)4-9(13)12(8)16-11/h3-6H,1-2H3,(H2,15,16).
What are the key properties of 8-chloro-6-iodo-2-propan-2-ylquinolin-4-amine?
8-chloro-6-iodo-2-propan-2-ylquinolin-4-amine has a molecular weight of 346.60 g/mol, XLogP of 4.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-6-iodo-2-propan-2-ylquinolin-4-amine is sourced from PubChem (CID 107607874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).