6-iodo-2,3-dimethyl-N-propylquinolin-4-amine

C14H17IN2 — CID 63480524

IUPAC6-iodo-2,3-dimethyl-N-propylquinolin-4-amine
SMILESCCCNc1c(C)c(C)nc2ccc(I)cc12
InChIInChI=1S/C14H17IN2/c1-4-7-16-14-9(2)10(3)17-13-6-5-11(15)8-12(13)14/h5-6,8H,4,7H2,1-3H3,(H,16,17)
InChIKeyXQQDMWOPUSTJRU-UHFFFAOYSA-N
MW340.21 g/mol
LogP4.28
Rot. Bonds3

About 6-iodo-2,3-dimethyl-N-propylquinolin-4-amine

6-iodo-2,3-dimethyl-N-propylquinolin-4-amine (PubChem CID 63480524) has the molecular formula C14H17IN2 and a molecular weight of 340.21 g/mol. Its IUPAC name is 6-iodo-2,3-dimethyl-N-propylquinolin-4-amine.

Molecular Properties

Compound Name6-iodo-2,3-dimethyl-N-propylquinolin-4-amine
PubChem CID63480524
Molecular FormulaC14H17IN2
Molecular Weight340.21 g/mol
Exact Mass340.04
IUPAC Name6-iodo-2,3-dimethyl-N-propylquinolin-4-amine
SMILESCCCNc1c(C)c(C)nc2ccc(I)cc12
InChIInChI=1S/C14H17IN2/c1-4-7-16-14-9(2)10(3)17-13-6-5-11(15)8-12(13)14/h5-6,8H,4,7H2,1-3H3,(H,16,17)
InChIKeyXQQDMWOPUSTJRU-UHFFFAOYSA-N
XLogP4.28
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.21
LogP ≤ 54.28
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-2,3-dimethyl-N-propylquinolin-4-amine?
The IUPAC name of 6-iodo-2,3-dimethyl-N-propylquinolin-4-amine (CID 63480524) is 6-iodo-2,3-dimethyl-N-propylquinolin-4-amine.
What is the SMILES notation for 6-iodo-2,3-dimethyl-N-propylquinolin-4-amine?
The canonical SMILES for 6-iodo-2,3-dimethyl-N-propylquinolin-4-amine is CCCNc1c(C)c(C)nc2ccc(I)cc12.
What is the InChIKey of 6-iodo-2,3-dimethyl-N-propylquinolin-4-amine?
The InChIKey is XQQDMWOPUSTJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17IN2/c1-4-7-16-14-9(2)10(3)17-13-6-5-11(15)8-12(13)14/h5-6,8H,4,7H2,1-3H3,(H,16,17).
What are the key properties of 6-iodo-2,3-dimethyl-N-propylquinolin-4-amine?
6-iodo-2,3-dimethyl-N-propylquinolin-4-amine has a molecular weight of 340.21 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-2,3-dimethyl-N-propylquinolin-4-amine is sourced from PubChem (CID 63480524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).