4-(5-iodoquinolin-2-yl)-2-methylmorpholine

C14H15IN2O — CID 67098519

IUPAC4-(5-iodoquinolin-2-yl)-2-methylmorpholine
SMILESCC1CN(c2ccc3c(I)cccc3n2)CCO1
InChIInChI=1S/C14H15IN2O/c1-10-9-17(7-8-18-10)14-6-5-11-12(15)3-2-4-13(11)16-14/h2-6,10H,7-9H2,1H3
InChIKeyTVAXFJQBDNSRPZ-UHFFFAOYSA-N
MW354.19 g/mol
LogP3.06
Rot. Bonds1

About 4-(5-iodoquinolin-2-yl)-2-methylmorpholine

4-(5-iodoquinolin-2-yl)-2-methylmorpholine (PubChem CID 67098519) has the molecular formula C14H15IN2O and a molecular weight of 354.19 g/mol. Its IUPAC name is 4-(5-iodoquinolin-2-yl)-2-methylmorpholine.

Molecular Properties

Compound Name4-(5-iodoquinolin-2-yl)-2-methylmorpholine
PubChem CID67098519
Molecular FormulaC14H15IN2O
Molecular Weight354.19 g/mol
Exact Mass354.02
IUPAC Name4-(5-iodoquinolin-2-yl)-2-methylmorpholine
SMILESCC1CN(c2ccc3c(I)cccc3n2)CCO1
InChIInChI=1S/C14H15IN2O/c1-10-9-17(7-8-18-10)14-6-5-11-12(15)3-2-4-13(11)16-14/h2-6,10H,7-9H2,1H3
InChIKeyTVAXFJQBDNSRPZ-UHFFFAOYSA-N
XLogP3.06
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.19
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(5-iodoquinolin-2-yl)-2-methylmorpholine?
The IUPAC name of 4-(5-iodoquinolin-2-yl)-2-methylmorpholine (CID 67098519) is 4-(5-iodoquinolin-2-yl)-2-methylmorpholine.
What is the SMILES notation for 4-(5-iodoquinolin-2-yl)-2-methylmorpholine?
The canonical SMILES for 4-(5-iodoquinolin-2-yl)-2-methylmorpholine is CC1CN(c2ccc3c(I)cccc3n2)CCO1.
What is the InChIKey of 4-(5-iodoquinolin-2-yl)-2-methylmorpholine?
The InChIKey is TVAXFJQBDNSRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15IN2O/c1-10-9-17(7-8-18-10)14-6-5-11-12(15)3-2-4-13(11)16-14/h2-6,10H,7-9H2,1H3.
What are the key properties of 4-(5-iodoquinolin-2-yl)-2-methylmorpholine?
4-(5-iodoquinolin-2-yl)-2-methylmorpholine has a molecular weight of 354.19 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-iodoquinolin-2-yl)-2-methylmorpholine is sourced from PubChem (CID 67098519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).