6-iodo-2-thiophen-2-ylquinoline-4-carboxylic acid

C14H8INO2S — CID 1016749

IUPAC6-iodo-2-thiophen-2-ylquinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2cccs2)nc2ccc(I)cc12
InChIInChI=1S/C14H8INO2S/c15-8-3-4-11-9(6-8)10(14(17)18)7-12(16-11)13-2-1-5-19-13/h1-7H,(H,17,18)
InChIKeyNSCBHSAUKHCIPU-UHFFFAOYSA-N
MW381.19 g/mol
LogP4.27
Rot. Bonds2

About 6-iodo-2-thiophen-2-ylquinoline-4-carboxylic acid

6-iodo-2-thiophen-2-ylquinoline-4-carboxylic acid (PubChem CID 1016749) has the molecular formula C14H8INO2S and a molecular weight of 381.19 g/mol. Its IUPAC name is 6-iodo-2-thiophen-2-ylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-iodo-2-thiophen-2-ylquinoline-4-carboxylic acid
PubChem CID1016749
Molecular FormulaC14H8INO2S
Molecular Weight381.19 g/mol
Exact Mass380.93
IUPAC Name6-iodo-2-thiophen-2-ylquinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2cccs2)nc2ccc(I)cc12
InChIInChI=1S/C14H8INO2S/c15-8-3-4-11-9(6-8)10(14(17)18)7-12(16-11)13-2-1-5-19-13/h1-7H,(H,17,18)
InChIKeyNSCBHSAUKHCIPU-UHFFFAOYSA-N
XLogP4.27
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.19
LogP ≤ 54.27
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

6-chloro-2-thiophen-2-ylquinoline-4-carboxylic acid
CID 625807
6-ethyl-2-thiophen-2-ylquinoline-4-carboxylic acid
CID 860396
6-(dimethylsulfamoyl)-2-thiophen-2-ylquinoline-4-carboxylic acid
CID 3374925
N-(4-iodo-2-methylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 2340923
6-pyrrolidin-1-ylsulfonyl-2-thiophen-2-ylquinoline-4-carboxylic acid
CID 3509609
5-iodo-2-thiophen-2-ylbenzoic acid
CID 10087991
5-bromo-2-thiophen-2-ylquinoline-4-carboxylic acid
CID 29051523
6-methyl-2-thiophen-2-ylquinoline-4-carbohydrazide
CID 86004329
methyl 6-methoxy-2-thiophen-2-ylquinoline-4-carboxylate
CID 164676976
(6-fluoro-2-thiophen-2-ylquinolin-4-yl)-morpholin-4-ylmethanone
CID 1166469
N-cyclopropyl-6-methyl-2-thiophen-2-ylquinoline-4-carboxamide
CID 42659167
6-iodo-2-thiophen-2-yl-3H-quinazolin-4-one
CID 135436359

Frequently Asked Questions

What is the IUPAC name of 6-iodo-2-thiophen-2-ylquinoline-4-carboxylic acid?
The IUPAC name of 6-iodo-2-thiophen-2-ylquinoline-4-carboxylic acid (CID 1016749) is 6-iodo-2-thiophen-2-ylquinoline-4-carboxylic acid.
What is the SMILES notation for 6-iodo-2-thiophen-2-ylquinoline-4-carboxylic acid?
The canonical SMILES for 6-iodo-2-thiophen-2-ylquinoline-4-carboxylic acid is O=C(O)c1cc(-c2cccs2)nc2ccc(I)cc12.
What is the InChIKey of 6-iodo-2-thiophen-2-ylquinoline-4-carboxylic acid?
The InChIKey is NSCBHSAUKHCIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8INO2S/c15-8-3-4-11-9(6-8)10(14(17)18)7-12(16-11)13-2-1-5-19-13/h1-7H,(H,17,18).
What are the key properties of 6-iodo-2-thiophen-2-ylquinoline-4-carboxylic acid?
6-iodo-2-thiophen-2-ylquinoline-4-carboxylic acid has a molecular weight of 381.19 g/mol, XLogP of 4.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-2-thiophen-2-ylquinoline-4-carboxylic acid is sourced from PubChem (CID 1016749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).