8-chloro-6-iodo-N-propylquinolin-2-amine

C12H12ClIN2 — CID 107608062

IUPAC8-chloro-6-iodo-N-propylquinolin-2-amine
SMILESCCCNc1ccc2cc(I)cc(Cl)c2n1
InChIInChI=1S/C12H12ClIN2/c1-2-5-15-11-4-3-8-6-9(14)7-10(13)12(8)16-11/h3-4,6-7H,2,5H2,1H3,(H,15,16)
InChIKeyKXQWWIFDJFQTON-UHFFFAOYSA-N
MW346.60 g/mol
LogP4.31
Rot. Bonds3

About 8-chloro-6-iodo-N-propylquinolin-2-amine

8-chloro-6-iodo-N-propylquinolin-2-amine (PubChem CID 107608062) has the molecular formula C12H12ClIN2 and a molecular weight of 346.60 g/mol. Its IUPAC name is 8-chloro-6-iodo-N-propylquinolin-2-amine.

Molecular Properties

Compound Name8-chloro-6-iodo-N-propylquinolin-2-amine
PubChem CID107608062
Molecular FormulaC12H12ClIN2
Molecular Weight346.60 g/mol
Exact Mass345.97
IUPAC Name8-chloro-6-iodo-N-propylquinolin-2-amine
SMILESCCCNc1ccc2cc(I)cc(Cl)c2n1
InChIInChI=1S/C12H12ClIN2/c1-2-5-15-11-4-3-8-6-9(14)7-10(13)12(8)16-11/h3-4,6-7H,2,5H2,1H3,(H,15,16)
InChIKeyKXQWWIFDJFQTON-UHFFFAOYSA-N
XLogP4.31
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.60
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 8-chloro-6-iodo-N-propylquinolin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[(6-bromo-8-chloroquinolin-2-yl)amino]ethyl]ethanesulfonamide
CID 133437081
3-[(6-bromo-8-chloroquinolin-2-yl)amino]propan-1-ol
CID 75445295
5-chloro-6-[(4-chlorophenyl)sulfanylmethyl]-N-propylpyridin-2-amine
CID 63486396
4-[[3-chloro-6-(propylamino)-2-pyridinyl]methylsulfanyl]phenol
CID 62885661
8-chloro-6-iodoquinoline-2-carbonitrile
CID 107608577
N-[3-[(6-bromo-8-chloroquinolin-2-yl)amino]propyl]acetamide
CID 133436542
5-chloro-6-[[methyl(propyl)amino]methyl]-N-propylpyridin-2-amine
CID 62890773
3-chloro-N-(2-iodophenyl)-6-(propylamino)pyridine-2-carboxamide
CID 62167329
3-[2-[(6-bromo-8-chloroquinolin-2-yl)amino]ethylsulfanyl]propan-1-ol
CID 133437196
6-chloro-2-methyl-N-propylpyrimidin-4-amine
CID 11074100
3-[[3-chloro-6-(propylamino)-2-pyridinyl]methyl-ethylamino]propanenitrile
CID 62890808
5-chloro-6-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]-N-propylpyridin-2-amine
CID 62885838

Frequently Asked Questions

What is the IUPAC name of 8-chloro-6-iodo-N-propylquinolin-2-amine?
The IUPAC name of 8-chloro-6-iodo-N-propylquinolin-2-amine (CID 107608062) is 8-chloro-6-iodo-N-propylquinolin-2-amine.
What is the SMILES notation for 8-chloro-6-iodo-N-propylquinolin-2-amine?
The canonical SMILES for 8-chloro-6-iodo-N-propylquinolin-2-amine is CCCNc1ccc2cc(I)cc(Cl)c2n1.
What is the InChIKey of 8-chloro-6-iodo-N-propylquinolin-2-amine?
The InChIKey is KXQWWIFDJFQTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClIN2/c1-2-5-15-11-4-3-8-6-9(14)7-10(13)12(8)16-11/h3-4,6-7H,2,5H2,1H3,(H,15,16).
What are the key properties of 8-chloro-6-iodo-N-propylquinolin-2-amine?
8-chloro-6-iodo-N-propylquinolin-2-amine has a molecular weight of 346.60 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-6-iodo-N-propylquinolin-2-amine is sourced from PubChem (CID 107608062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).