6,7-diethoxy-3-iodo-1H-quinolin-4-one

C13H14INO3 — CID 102614933

IUPAC6,7-diethoxy-3-iodo-1H-quinolin-4-one
SMILESCCOc1cc2[nH]cc(I)c(=O)c2cc1OCC
InChIInChI=1S/C13H14INO3/c1-3-17-11-5-8-10(6-12(11)18-4-2)15-7-9(14)13(8)16/h5-7H,3-4H2,1-2H3,(H,15,16)
InChIKeyLALNKHNTUZZXNU-UHFFFAOYSA-N
MW359.16 g/mol
LogP2.93
Rot. Bonds4

About 6,7-diethoxy-3-iodo-1H-quinolin-4-one

6,7-diethoxy-3-iodo-1H-quinolin-4-one (PubChem CID 102614933) has the molecular formula C13H14INO3 and a molecular weight of 359.16 g/mol. Its IUPAC name is 6,7-diethoxy-3-iodo-1H-quinolin-4-one.

Molecular Properties

Compound Name6,7-diethoxy-3-iodo-1H-quinolin-4-one
PubChem CID102614933
Molecular FormulaC13H14INO3
Molecular Weight359.16 g/mol
Exact Mass359.00
IUPAC Name6,7-diethoxy-3-iodo-1H-quinolin-4-one
SMILESCCOc1cc2[nH]cc(I)c(=O)c2cc1OCC
InChIInChI=1S/C13H14INO3/c1-3-17-11-5-8-10(6-12(11)18-4-2)15-7-9(14)13(8)16/h5-7H,3-4H2,1-2H3,(H,15,16)
InChIKeyLALNKHNTUZZXNU-UHFFFAOYSA-N
XLogP2.93
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.16
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-6,7-diethoxy-1H-quinolin-4-one
CID 114759296
6,7-diethoxy-4-oxo-1H-quinoline-3-carbohydrazide
CID 50877325
3-(5,6-diethoxy-1H-indol-3-yl)propan-1-amine
CID 83948710
ethyl 7-iodo-6-methoxy-4-oxo-1H-quinoline-3-carboxylate
CID 78358217
ethane;7-ethoxy-6-nitro-4-oxo-1H-quinoline-3-carbonitrile
CID 144800132
3-chloro-7-iodo-6-methoxy-1H-quinolin-4-one
CID 118414190
6,7-diethoxy-1H-quinazoline-4-thione
CID 106505559
ethyl 6-(cyclopropylmethoxy)-7-(2-methylpropoxy)-4-oxo-1H-quinoline-3-carboxylate
CID 154116681
6,7-diethoxy-2-propan-2-yl-1H-quinolin-4-one
CID 43667984
1-bromo-4,5-diethoxy-2-iodobenzene
CID 81479058
7-(2-chloroethoxy)-6-methoxy-3-nitro-1H-quinolin-4-one
CID 164853282
ethyl 7-methoxy-6-[2-(2-methylphenyl)ethoxy]-4-oxo-1H-quinoline-3-carboxylate
CID 25105443

Frequently Asked Questions

What is the IUPAC name of 6,7-diethoxy-3-iodo-1H-quinolin-4-one?
The IUPAC name of 6,7-diethoxy-3-iodo-1H-quinolin-4-one (CID 102614933) is 6,7-diethoxy-3-iodo-1H-quinolin-4-one.
What is the SMILES notation for 6,7-diethoxy-3-iodo-1H-quinolin-4-one?
The canonical SMILES for 6,7-diethoxy-3-iodo-1H-quinolin-4-one is CCOc1cc2[nH]cc(I)c(=O)c2cc1OCC.
What is the InChIKey of 6,7-diethoxy-3-iodo-1H-quinolin-4-one?
The InChIKey is LALNKHNTUZZXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14INO3/c1-3-17-11-5-8-10(6-12(11)18-4-2)15-7-9(14)13(8)16/h5-7H,3-4H2,1-2H3,(H,15,16).
What are the key properties of 6,7-diethoxy-3-iodo-1H-quinolin-4-one?
6,7-diethoxy-3-iodo-1H-quinolin-4-one has a molecular weight of 359.16 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-diethoxy-3-iodo-1H-quinolin-4-one is sourced from PubChem (CID 102614933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).