N-(3-bromoquinolin-8-yl)-5-iodothiophene-3-carboxamide

C14H8BrIN2OS — CID 116784653

IUPACN-(3-bromoquinolin-8-yl)-5-iodothiophene-3-carboxamide
SMILESO=C(Nc1cccc2cc(Br)cnc12)c1csc(I)c1
InChIInChI=1S/C14H8BrIN2OS/c15-10-4-8-2-1-3-11(13(8)17-6-10)18-14(19)9-5-12(16)20-7-9/h1-7H,(H,18,19)
InChIKeyRVJHAOMBAIATLC-UHFFFAOYSA-N
MW459.11 g/mol
LogP4.92
Rot. Bonds2

About N-(3-bromoquinolin-8-yl)-5-iodothiophene-3-carboxamide

N-(3-bromoquinolin-8-yl)-5-iodothiophene-3-carboxamide (PubChem CID 116784653) has the molecular formula C14H8BrIN2OS and a molecular weight of 459.11 g/mol. Its IUPAC name is N-(3-bromoquinolin-8-yl)-5-iodothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(3-bromoquinolin-8-yl)-5-iodothiophene-3-carboxamide
PubChem CID116784653
Molecular FormulaC14H8BrIN2OS
Molecular Weight459.11 g/mol
Exact Mass457.86
IUPAC NameN-(3-bromoquinolin-8-yl)-5-iodothiophene-3-carboxamide
SMILESO=C(Nc1cccc2cc(Br)cnc12)c1csc(I)c1
InChIInChI=1S/C14H8BrIN2OS/c15-10-4-8-2-1-3-11(13(8)17-6-10)18-14(19)9-5-12(16)20-7-9/h1-7H,(H,18,19)
InChIKeyRVJHAOMBAIATLC-UHFFFAOYSA-N
XLogP4.92
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.11
LogP ≤ 54.92
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

4-bromo-N-(3-bromoquinolin-8-yl)benzamide
CID 116784626
5-iodo-N-quinolin-8-ylthiophene-3-carboxamide
CID 78948742
N-(3-bromoquinolin-8-yl)-6-chloropyridine-3-carboxamide
CID 116783827
methyl 3-[(3-bromoquinolin-8-yl)carbamoyl]benzoate
CID 19592861
N-(3-bromoquinolin-8-yl)-2-hydroxybenzamide
CID 116784757
N-(3-bromoquinolin-8-yl)-3-hydroxypyridine-2-carboxamide
CID 116784767
3-amino-N-(3-bromoquinolin-8-yl)-1H-1,2,4-triazole-5-carboxamide
CID 116784345
N-(3-bromoquinolin-8-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 116784693
N-(3-bromoquinolin-8-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 116784789
N-(6-bromonaphthalen-2-yl)-5-iodothiophene-3-carboxamide
CID 81259590
N-(3-bromoquinolin-8-yl)bicyclo[3.1.0]hexane-3-carboxamide
CID 116784745
5-bromo-N-quinolin-8-ylpyridine-3-carboxamide
CID 837055

Frequently Asked Questions

What is the IUPAC name of N-(3-bromoquinolin-8-yl)-5-iodothiophene-3-carboxamide?
The IUPAC name of N-(3-bromoquinolin-8-yl)-5-iodothiophene-3-carboxamide (CID 116784653) is N-(3-bromoquinolin-8-yl)-5-iodothiophene-3-carboxamide.
What is the SMILES notation for N-(3-bromoquinolin-8-yl)-5-iodothiophene-3-carboxamide?
The canonical SMILES for N-(3-bromoquinolin-8-yl)-5-iodothiophene-3-carboxamide is O=C(Nc1cccc2cc(Br)cnc12)c1csc(I)c1.
What is the InChIKey of N-(3-bromoquinolin-8-yl)-5-iodothiophene-3-carboxamide?
The InChIKey is RVJHAOMBAIATLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrIN2OS/c15-10-4-8-2-1-3-11(13(8)17-6-10)18-14(19)9-5-12(16)20-7-9/h1-7H,(H,18,19).
What are the key properties of N-(3-bromoquinolin-8-yl)-5-iodothiophene-3-carboxamide?
N-(3-bromoquinolin-8-yl)-5-iodothiophene-3-carboxamide has a molecular weight of 459.11 g/mol, XLogP of 4.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromoquinolin-8-yl)-5-iodothiophene-3-carboxamide is sourced from PubChem (CID 116784653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).