4,5-dibromo-N-(5-chloroquinolin-8-yl)thiophene-2-carboxamide

C14H7Br2ClN2OS — CID 78915812

IUPAC4,5-dibromo-N-(5-chloroquinolin-8-yl)thiophene-2-carboxamide
SMILESO=C(Nc1ccc(Cl)c2cccnc12)c1cc(Br)c(Br)s1
InChIInChI=1S/C14H7Br2ClN2OS/c15-8-6-11(21-13(8)16)14(20)19-10-4-3-9(17)7-2-1-5-18-12(7)10/h1-6H,(H,19,20)
InChIKeyCSAGYMOCBXTCTO-UHFFFAOYSA-N
MW446.55 g/mol
LogP5.73
Rot. Bonds2

About 4,5-dibromo-N-(5-chloroquinolin-8-yl)thiophene-2-carboxamide

4,5-dibromo-N-(5-chloroquinolin-8-yl)thiophene-2-carboxamide (PubChem CID 78915812) has the molecular formula C14H7Br2ClN2OS and a molecular weight of 446.55 g/mol. Its IUPAC name is 4,5-dibromo-N-(5-chloroquinolin-8-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-(5-chloroquinolin-8-yl)thiophene-2-carboxamide
PubChem CID78915812
Molecular FormulaC14H7Br2ClN2OS
Molecular Weight446.55 g/mol
Exact Mass443.83
IUPAC Name4,5-dibromo-N-(5-chloroquinolin-8-yl)thiophene-2-carboxamide
SMILESO=C(Nc1ccc(Cl)c2cccnc12)c1cc(Br)c(Br)s1
InChIInChI=1S/C14H7Br2ClN2OS/c15-8-6-11(21-13(8)16)14(20)19-10-4-3-9(17)7-2-1-5-18-12(7)10/h1-6H,(H,19,20)
InChIKeyCSAGYMOCBXTCTO-UHFFFAOYSA-N
XLogP5.73
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.55
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(8-chloroquinolin-5-yl)-4-methylthiophene-2-carboxamide
CID 79988116
N-(5-bromoquinolin-8-yl)-2,6-dichlorobenzamide
CID 35286890
N-(5-chloroquinolin-8-yl)-3-hydroxybenzamide
CID 115577672
3-chloro-N-(5-chloroquinolin-8-yl)pyridine-4-carboxamide
CID 66464804
6-chloro-N-(5-chloroquinolin-8-yl)pyridazine-3-carboxamide
CID 61041185
3-amino-N-(5-chloroquinolin-8-yl)-1H-pyrazole-5-carboxamide
CID 64525415
4,5-dibromo-N-(5-carbamoyl-2-chlorophenyl)thiophene-2-carboxamide
CID 78954012
4,5-dibromo-N-(2-chloro-4-cyanophenyl)thiophene-2-carboxamide
CID 103811052
4,5-dibromo-N-(2-chloro-5-sulfamoylphenyl)thiophene-2-carboxamide
CID 80534332
3-amino-N-(5-chloroquinolin-8-yl)-2,2,3-trimethylbutanamide
CID 65269986
4-amino-N-(5-chloroquinolin-8-yl)-1-methylpyrazole-3-carboxamide
CID 65355080
5-amino-N-(5-chloroquinolin-8-yl)-1-methylpyrazole-4-carboxamide
CID 104625471

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-(5-chloroquinolin-8-yl)thiophene-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-(5-chloroquinolin-8-yl)thiophene-2-carboxamide (CID 78915812) is 4,5-dibromo-N-(5-chloroquinolin-8-yl)thiophene-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-(5-chloroquinolin-8-yl)thiophene-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-(5-chloroquinolin-8-yl)thiophene-2-carboxamide is O=C(Nc1ccc(Cl)c2cccnc12)c1cc(Br)c(Br)s1.
What is the InChIKey of 4,5-dibromo-N-(5-chloroquinolin-8-yl)thiophene-2-carboxamide?
The InChIKey is CSAGYMOCBXTCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Br2ClN2OS/c15-8-6-11(21-13(8)16)14(20)19-10-4-3-9(17)7-2-1-5-18-12(7)10/h1-6H,(H,19,20).
What are the key properties of 4,5-dibromo-N-(5-chloroquinolin-8-yl)thiophene-2-carboxamide?
4,5-dibromo-N-(5-chloroquinolin-8-yl)thiophene-2-carboxamide has a molecular weight of 446.55 g/mol, XLogP of 5.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-(5-chloroquinolin-8-yl)thiophene-2-carboxamide is sourced from PubChem (CID 78915812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).