6-iodo-2-(2-pyrrolidin-1-ylethoxy)quinoxaline

C14H16IN3O — CID 69085291

IUPAC6-iodo-2-(2-pyrrolidin-1-ylethoxy)quinoxaline
SMILESIc1ccc2nc(OCCN3CCCC3)cnc2c1
InChIInChI=1S/C14H16IN3O/c15-11-3-4-12-13(9-11)16-10-14(17-12)19-8-7-18-5-1-2-6-18/h3-4,9-10H,1-2,5-8H2
InChIKeyZWALQEOKDFSGMK-UHFFFAOYSA-N
MW369.21 g/mol
LogP2.71
Rot. Bonds4

About 6-iodo-2-(2-pyrrolidin-1-ylethoxy)quinoxaline

6-iodo-2-(2-pyrrolidin-1-ylethoxy)quinoxaline (PubChem CID 69085291) has the molecular formula C14H16IN3O and a molecular weight of 369.21 g/mol. Its IUPAC name is 6-iodo-2-(2-pyrrolidin-1-ylethoxy)quinoxaline.

Molecular Properties

Compound Name6-iodo-2-(2-pyrrolidin-1-ylethoxy)quinoxaline
PubChem CID69085291
Molecular FormulaC14H16IN3O
Molecular Weight369.21 g/mol
Exact Mass369.03
IUPAC Name6-iodo-2-(2-pyrrolidin-1-ylethoxy)quinoxaline
SMILESIc1ccc2nc(OCCN3CCCC3)cnc2c1
InChIInChI=1S/C14H16IN3O/c15-11-3-4-12-13(9-11)16-10-14(17-12)19-8-7-18-5-1-2-6-18/h3-4,9-10H,1-2,5-8H2
InChIKeyZWALQEOKDFSGMK-UHFFFAOYSA-N
XLogP2.71
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.21
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-piperidin-1-ylethoxy)quinolin-6-amine
CID 61104220
2-chloro-6-(2-pyrrolidin-1-ylethoxy)pyrazine
CID 53486086
5-tert-butyl-2-(2-pyrrolidin-1-ylethoxy)pyridine
CID 67960770
5-iodo-2-(2-pyrrolidin-1-ylethoxy)benzonitrile
CID 69071631
5-iodo-1-(2-pyrrolidin-1-ylethyl)benzimidazole
CID 69079010
6-(2-pyrrolidin-1-ylethoxy)pyrimidine-2,4-diamine
CID 80870818
2-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethoxy]quinoxaline
CID 67885692
4-[2-methyl-6-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]phenol;hydrochloride
CID 135549351
6-(2-pyrrolidin-1-ylethoxy)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774343
6-(2-pyrrolidin-1-ylethoxy)pyrazine-2-carbothioamide
CID 71397493
2-(3-pyrrolidin-1-ylpropoxy)quinoline
CID 141047527
[6-(2-pyrrolidin-1-ylethoxy)-2-pyridinyl]methanol
CID 62239546

Frequently Asked Questions

What is the IUPAC name of 6-iodo-2-(2-pyrrolidin-1-ylethoxy)quinoxaline?
The IUPAC name of 6-iodo-2-(2-pyrrolidin-1-ylethoxy)quinoxaline (CID 69085291) is 6-iodo-2-(2-pyrrolidin-1-ylethoxy)quinoxaline.
What is the SMILES notation for 6-iodo-2-(2-pyrrolidin-1-ylethoxy)quinoxaline?
The canonical SMILES for 6-iodo-2-(2-pyrrolidin-1-ylethoxy)quinoxaline is Ic1ccc2nc(OCCN3CCCC3)cnc2c1.
What is the InChIKey of 6-iodo-2-(2-pyrrolidin-1-ylethoxy)quinoxaline?
The InChIKey is ZWALQEOKDFSGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16IN3O/c15-11-3-4-12-13(9-11)16-10-14(17-12)19-8-7-18-5-1-2-6-18/h3-4,9-10H,1-2,5-8H2.
What are the key properties of 6-iodo-2-(2-pyrrolidin-1-ylethoxy)quinoxaline?
6-iodo-2-(2-pyrrolidin-1-ylethoxy)quinoxaline has a molecular weight of 369.21 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-2-(2-pyrrolidin-1-ylethoxy)quinoxaline is sourced from PubChem (CID 69085291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).