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

C13H15IN2 — CID 62915309

IUPAC6-iodo-2-methyl-3-propan-2-ylquinolin-4-amine
SMILESCc1nc2ccc(I)cc2c(N)c1C(C)C
InChIInChI=1S/C13H15IN2/c1-7(2)12-8(3)16-11-5-4-9(14)6-10(11)13(12)15/h4-7H,1-3H3,(H2,15,16)
InChIKeyWSBBECWPHLQBQU-UHFFFAOYSA-N
MW326.18 g/mol
LogP3.85
Rot. Bonds1

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

6-iodo-2-methyl-3-propan-2-ylquinolin-4-amine (PubChem CID 62915309) has the molecular formula C13H15IN2 and a molecular weight of 326.18 g/mol. Its IUPAC name is 6-iodo-2-methyl-3-propan-2-ylquinolin-4-amine.

Molecular Properties

Compound Name6-iodo-2-methyl-3-propan-2-ylquinolin-4-amine
PubChem CID62915309
Molecular FormulaC13H15IN2
Molecular Weight326.18 g/mol
Exact Mass326.03
IUPAC Name6-iodo-2-methyl-3-propan-2-ylquinolin-4-amine
SMILESCc1nc2ccc(I)cc2c(N)c1C(C)C
InChIInChI=1S/C13H15IN2/c1-7(2)12-8(3)16-11-5-4-9(14)6-10(11)13(12)15/h4-7H,1-3H3,(H2,15,16)
InChIKeyWSBBECWPHLQBQU-UHFFFAOYSA-N
XLogP3.85
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.18
LogP ≤ 53.85
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 6-iodo-2-methyl-3-propan-2-ylquinolin-4-amine?
The IUPAC name of 6-iodo-2-methyl-3-propan-2-ylquinolin-4-amine (CID 62915309) is 6-iodo-2-methyl-3-propan-2-ylquinolin-4-amine.
What is the SMILES notation for 6-iodo-2-methyl-3-propan-2-ylquinolin-4-amine?
The canonical SMILES for 6-iodo-2-methyl-3-propan-2-ylquinolin-4-amine is Cc1nc2ccc(I)cc2c(N)c1C(C)C.
What is the InChIKey of 6-iodo-2-methyl-3-propan-2-ylquinolin-4-amine?
The InChIKey is WSBBECWPHLQBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15IN2/c1-7(2)12-8(3)16-11-5-4-9(14)6-10(11)13(12)15/h4-7H,1-3H3,(H2,15,16).
What are the key properties of 6-iodo-2-methyl-3-propan-2-ylquinolin-4-amine?
6-iodo-2-methyl-3-propan-2-ylquinolin-4-amine has a molecular weight of 326.18 g/mol, XLogP of 3.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-2-methyl-3-propan-2-ylquinolin-4-amine is sourced from PubChem (CID 62915309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).