8-iodo-N-methyl-2-propan-2-ylquinolin-4-amine

C13H15IN2 — CID 63479524

IUPAC8-iodo-N-methyl-2-propan-2-ylquinolin-4-amine
SMILESCNc1cc(C(C)C)nc2c(I)cccc12
InChIInChI=1S/C13H15IN2/c1-8(2)11-7-12(15-3)9-5-4-6-10(14)13(9)16-11/h4-8H,1-3H3,(H,15,16)
InChIKeyVVRCMILFNYLTRQ-UHFFFAOYSA-N
MW326.18 g/mol
LogP4.00
Rot. Bonds2

About 8-iodo-N-methyl-2-propan-2-ylquinolin-4-amine

8-iodo-N-methyl-2-propan-2-ylquinolin-4-amine (PubChem CID 63479524) has the molecular formula C13H15IN2 and a molecular weight of 326.18 g/mol. Its IUPAC name is 8-iodo-N-methyl-2-propan-2-ylquinolin-4-amine.

Molecular Properties

Compound Name8-iodo-N-methyl-2-propan-2-ylquinolin-4-amine
PubChem CID63479524
Molecular FormulaC13H15IN2
Molecular Weight326.18 g/mol
Exact Mass326.03
IUPAC Name8-iodo-N-methyl-2-propan-2-ylquinolin-4-amine
SMILESCNc1cc(C(C)C)nc2c(I)cccc12
InChIInChI=1S/C13H15IN2/c1-8(2)11-7-12(15-3)9-5-4-6-10(14)13(9)16-11/h4-8H,1-3H3,(H,15,16)
InChIKeyVVRCMILFNYLTRQ-UHFFFAOYSA-N
XLogP4.00
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.18
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-iodo-N-methyl-2-propan-2-ylquinolin-4-amine?
The IUPAC name of 8-iodo-N-methyl-2-propan-2-ylquinolin-4-amine (CID 63479524) is 8-iodo-N-methyl-2-propan-2-ylquinolin-4-amine.
What is the SMILES notation for 8-iodo-N-methyl-2-propan-2-ylquinolin-4-amine?
The canonical SMILES for 8-iodo-N-methyl-2-propan-2-ylquinolin-4-amine is CNc1cc(C(C)C)nc2c(I)cccc12.
What is the InChIKey of 8-iodo-N-methyl-2-propan-2-ylquinolin-4-amine?
The InChIKey is VVRCMILFNYLTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15IN2/c1-8(2)11-7-12(15-3)9-5-4-6-10(14)13(9)16-11/h4-8H,1-3H3,(H,15,16).
What are the key properties of 8-iodo-N-methyl-2-propan-2-ylquinolin-4-amine?
8-iodo-N-methyl-2-propan-2-ylquinolin-4-amine has a molecular weight of 326.18 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-iodo-N-methyl-2-propan-2-ylquinolin-4-amine is sourced from PubChem (CID 63479524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).