2-ethoxy-8-iodo-1H-quinolin-4-one

C11H10INO2 — CID 143166869

IUPAC2-ethoxy-8-iodo-1H-quinolin-4-one
SMILESCCOc1cc(=O)c2cccc(I)c2[nH]1
InChIInChI=1S/C11H10INO2/c1-2-15-10-6-9(14)7-4-3-5-8(12)11(7)13-10/h3-6H,2H2,1H3,(H,13,14)
InChIKeyMMHQJJQLQFRVSQ-UHFFFAOYSA-N
MW315.11 g/mol
LogP2.53
Rot. Bonds2

About 2-ethoxy-8-iodo-1H-quinolin-4-one

2-ethoxy-8-iodo-1H-quinolin-4-one (PubChem CID 143166869) has the molecular formula C11H10INO2 and a molecular weight of 315.11 g/mol. Its IUPAC name is 2-ethoxy-8-iodo-1H-quinolin-4-one.

Molecular Properties

Compound Name2-ethoxy-8-iodo-1H-quinolin-4-one
PubChem CID143166869
Molecular FormulaC11H10INO2
Molecular Weight315.11 g/mol
Exact Mass314.98
IUPAC Name2-ethoxy-8-iodo-1H-quinolin-4-one
SMILESCCOc1cc(=O)c2cccc(I)c2[nH]1
InChIInChI=1S/C11H10INO2/c1-2-15-10-6-9(14)7-4-3-5-8(12)11(7)13-10/h3-6H,2H2,1H3,(H,13,14)
InChIKeyMMHQJJQLQFRVSQ-UHFFFAOYSA-N
XLogP2.53
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.11
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-8-fluoro-7-methoxy-1H-quinolin-4-one
CID 143166911
2-ethoxy-1,3-diiodobenzene
CID 165359155
ethyl 2-methyl-4-oxo-1H-quinoline-8-carboxylate
CID 905569
8-ethoxy-1H-quinazoline-2,4-dione
CID 19604239
(8-hydroxy-4-oxo-1H-quinolin-2-yl) hydrogen carbonate
CID 67177306
8-amino-2-methyl-1H-quinolin-4-one
CID 21448150
2-ethoxy-6-methyl-1H-pyridin-4-one
CID 119090762
8-ethyl-2-propan-2-yl-1H-quinolin-4-one
CID 43668106
8-iodo-3-methoxy-1H-quinolin-2-one
CID 68636812
7-iodo-1,2-dihydroindazol-3-one
CID 121231706
2-ethyl-8-phenoxy-1H-quinolin-4-one
CID 43668337
8-fluoro-2-propyl-1H-quinolin-4-one
CID 39346190

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-8-iodo-1H-quinolin-4-one?
The IUPAC name of 2-ethoxy-8-iodo-1H-quinolin-4-one (CID 143166869) is 2-ethoxy-8-iodo-1H-quinolin-4-one.
What is the SMILES notation for 2-ethoxy-8-iodo-1H-quinolin-4-one?
The canonical SMILES for 2-ethoxy-8-iodo-1H-quinolin-4-one is CCOc1cc(=O)c2cccc(I)c2[nH]1.
What is the InChIKey of 2-ethoxy-8-iodo-1H-quinolin-4-one?
The InChIKey is MMHQJJQLQFRVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10INO2/c1-2-15-10-6-9(14)7-4-3-5-8(12)11(7)13-10/h3-6H,2H2,1H3,(H,13,14).
What are the key properties of 2-ethoxy-8-iodo-1H-quinolin-4-one?
2-ethoxy-8-iodo-1H-quinolin-4-one has a molecular weight of 315.11 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-8-iodo-1H-quinolin-4-one is sourced from PubChem (CID 143166869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).