ethyl 3-hydroxy-6-iodo-2-oxo-1H-quinoline-4-carboxylate

C12H10INO4 — CID 86731085

IUPACethyl 3-hydroxy-6-iodo-2-oxo-1H-quinoline-4-carboxylate
SMILESCCOC(=O)c1c(O)c(=O)[nH]c2ccc(I)cc12
InChIInChI=1S/C12H10INO4/c1-2-18-12(17)9-7-5-6(13)3-4-8(7)14-11(16)10(9)15/h3-5,15H,2H2,1H3,(H,14,16)
InChIKeyQCZFCLXTACUTII-UHFFFAOYSA-N
MW359.12 g/mol
LogP2.02
Rot. Bonds2

About ethyl 3-hydroxy-6-iodo-2-oxo-1H-quinoline-4-carboxylate

ethyl 3-hydroxy-6-iodo-2-oxo-1H-quinoline-4-carboxylate (PubChem CID 86731085) has the molecular formula C12H10INO4 and a molecular weight of 359.12 g/mol. Its IUPAC name is ethyl 3-hydroxy-6-iodo-2-oxo-1H-quinoline-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-hydroxy-6-iodo-2-oxo-1H-quinoline-4-carboxylate
PubChem CID86731085
Molecular FormulaC12H10INO4
Molecular Weight359.12 g/mol
Exact Mass358.97
IUPAC Nameethyl 3-hydroxy-6-iodo-2-oxo-1H-quinoline-4-carboxylate
SMILESCCOC(=O)c1c(O)c(=O)[nH]c2ccc(I)cc12
InChIInChI=1S/C12H10INO4/c1-2-18-12(17)9-7-5-6(13)3-4-8(7)14-11(16)10(9)15/h3-5,15H,2H2,1H3,(H,14,16)
InChIKeyQCZFCLXTACUTII-UHFFFAOYSA-N
XLogP2.02
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.12
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 6-iodo-3-methyl-1-oxo-2H-isoquinoline-4-carboxylate
CID 138973630
ethyl 4-(iodomethyl)-2-oxo-1H-quinoline-3-carboxylate
CID 89329733
ethyl 4-ethyl-6-iodo-9H-pyrido[3,4-b]indole-3-carboxylate
CID 54406749
diethyl 3,6-dihydropyrrolo[3,2-e]indole-2,7-dicarboxylate
CID 12643444
ethyl 2-amino-1H-indole-3-carboxylate
CID 1476606
ethyl 2-oxo-4-propan-2-yl-1H-quinoline-3-carboxylate
CID 15722478
ethyl 5-(dimethylamino)-2-methyl-1H-indole-3-carboxylate
CID 12537598
ethyl 5-[(5-iodo-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 57131850
diethyl 2,4,6-trihydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1,3-dicarboxylate
CID 169437924
ethyl 2-acetyl-1H-indole-3-carboxylate
CID 71162213
3-acetyl-6-iodo-2-methyl-1H-quinolin-4-one
CID 171365735
ethyl 4-(dimethoxymethyl)-2-oxo-1H-quinoline-3-carboxylate
CID 21474001

Frequently Asked Questions

What is the IUPAC name of ethyl 3-hydroxy-6-iodo-2-oxo-1H-quinoline-4-carboxylate?
The IUPAC name of ethyl 3-hydroxy-6-iodo-2-oxo-1H-quinoline-4-carboxylate (CID 86731085) is ethyl 3-hydroxy-6-iodo-2-oxo-1H-quinoline-4-carboxylate.
What is the SMILES notation for ethyl 3-hydroxy-6-iodo-2-oxo-1H-quinoline-4-carboxylate?
The canonical SMILES for ethyl 3-hydroxy-6-iodo-2-oxo-1H-quinoline-4-carboxylate is CCOC(=O)c1c(O)c(=O)[nH]c2ccc(I)cc12.
What is the InChIKey of ethyl 3-hydroxy-6-iodo-2-oxo-1H-quinoline-4-carboxylate?
The InChIKey is QCZFCLXTACUTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10INO4/c1-2-18-12(17)9-7-5-6(13)3-4-8(7)14-11(16)10(9)15/h3-5,15H,2H2,1H3,(H,14,16).
What are the key properties of ethyl 3-hydroxy-6-iodo-2-oxo-1H-quinoline-4-carboxylate?
ethyl 3-hydroxy-6-iodo-2-oxo-1H-quinoline-4-carboxylate has a molecular weight of 359.12 g/mol, XLogP of 2.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-hydroxy-6-iodo-2-oxo-1H-quinoline-4-carboxylate is sourced from PubChem (CID 86731085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).