1-[(5-chloroquinolin-8-yl)methyl]-4-iodopyrazol-5-amine

C13H10ClIN4 — CID 112617858

IUPAC1-[(5-chloroquinolin-8-yl)methyl]-4-iodopyrazol-5-amine
SMILESNc1c(I)cnn1Cc1ccc(Cl)c2cccnc12
InChIInChI=1S/C13H10ClIN4/c14-10-4-3-8(12-9(10)2-1-5-17-12)7-19-13(16)11(15)6-18-19/h1-6H,7,16H2
InChIKeyZHAHYIOJFDGWLE-UHFFFAOYSA-N
MW384.61 g/mol
LogP3.32
Rot. Bonds2

About 1-[(5-chloroquinolin-8-yl)methyl]-4-iodopyrazol-5-amine

1-[(5-chloroquinolin-8-yl)methyl]-4-iodopyrazol-5-amine (PubChem CID 112617858) has the molecular formula C13H10ClIN4 and a molecular weight of 384.61 g/mol. Its IUPAC name is 1-[(5-chloroquinolin-8-yl)methyl]-4-iodopyrazol-5-amine.

Molecular Properties

Compound Name1-[(5-chloroquinolin-8-yl)methyl]-4-iodopyrazol-5-amine
PubChem CID112617858
Molecular FormulaC13H10ClIN4
Molecular Weight384.61 g/mol
Exact Mass383.96
IUPAC Name1-[(5-chloroquinolin-8-yl)methyl]-4-iodopyrazol-5-amine
SMILESNc1c(I)cnn1Cc1ccc(Cl)c2cccnc12
InChIInChI=1S/C13H10ClIN4/c14-10-4-3-8(12-9(10)2-1-5-17-12)7-19-13(16)11(15)6-18-19/h1-6H,7,16H2
InChIKeyZHAHYIOJFDGWLE-UHFFFAOYSA-N
XLogP3.32
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.61
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(5-chloroquinolin-8-yl)methyl]-5-methylpyrazol-3-amine
CID 112617852
(5-chloroquinolin-8-yl)methylhydrazine
CID 112617928
5-chloro-8-[(4-propan-2-ylpiperazin-1-yl)methyl]quinoline
CID 87016276
1-[(5-chloroquinolin-8-yl)methyl]-4-methylpiperidin-3-amine
CID 115959704
2-[(5-chloroquinolin-8-yl)methyl]-5,6-dimethyl-3-oxopyridazine-4-carbonitrile
CID 38874534
8-[[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]methyl]-5-chloroquinoline;hydrochloride
CID 120661005
N-[(5-chloroquinolin-8-yl)methyl]but-3-yn-2-amine
CID 114415420
5-chloro-8-[(4-cyclopentylpiperazin-1-yl)methyl]quinoline
CID 55852938
1-(5-chloroquinolin-8-yl)-N-(pyridin-2-ylmethyl)methanamine
CID 115697268
aluminum tris(5-chloroquinolin-8-olate)
CID 67131824
1-(5-chloroquinolin-8-yl)-N-ethoxymethanamine
CID 112686388
1-[(5-chloroquinolin-8-yl)methyl]-2-methylpyrrolidine-2-carboxylic acid
CID 115960548

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloroquinolin-8-yl)methyl]-4-iodopyrazol-5-amine?
The IUPAC name of 1-[(5-chloroquinolin-8-yl)methyl]-4-iodopyrazol-5-amine (CID 112617858) is 1-[(5-chloroquinolin-8-yl)methyl]-4-iodopyrazol-5-amine.
What is the SMILES notation for 1-[(5-chloroquinolin-8-yl)methyl]-4-iodopyrazol-5-amine?
The canonical SMILES for 1-[(5-chloroquinolin-8-yl)methyl]-4-iodopyrazol-5-amine is Nc1c(I)cnn1Cc1ccc(Cl)c2cccnc12.
What is the InChIKey of 1-[(5-chloroquinolin-8-yl)methyl]-4-iodopyrazol-5-amine?
The InChIKey is ZHAHYIOJFDGWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClIN4/c14-10-4-3-8(12-9(10)2-1-5-17-12)7-19-13(16)11(15)6-18-19/h1-6H,7,16H2.
What are the key properties of 1-[(5-chloroquinolin-8-yl)methyl]-4-iodopyrazol-5-amine?
1-[(5-chloroquinolin-8-yl)methyl]-4-iodopyrazol-5-amine has a molecular weight of 384.61 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloroquinolin-8-yl)methyl]-4-iodopyrazol-5-amine is sourced from PubChem (CID 112617858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).