5-bromo-N-(8-chloroquinolin-5-yl)-4-methylthiophene-2-carboxamide

C15H10BrClN2OS — CID 79988116

IUPAC5-bromo-N-(8-chloroquinolin-5-yl)-4-methylthiophene-2-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(Cl)c3ncccc23)sc1Br
InChIInChI=1S/C15H10BrClN2OS/c1-8-7-12(21-14(8)16)15(20)19-11-5-4-10(17)13-9(11)3-2-6-18-13/h2-7H,1H3,(H,19,20)
InChIKeyFNDUQRLPNDDRIC-UHFFFAOYSA-N
MW381.68 g/mol
LogP5.27
Rot. Bonds2

About 5-bromo-N-(8-chloroquinolin-5-yl)-4-methylthiophene-2-carboxamide

5-bromo-N-(8-chloroquinolin-5-yl)-4-methylthiophene-2-carboxamide (PubChem CID 79988116) has the molecular formula C15H10BrClN2OS and a molecular weight of 381.68 g/mol. Its IUPAC name is 5-bromo-N-(8-chloroquinolin-5-yl)-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(8-chloroquinolin-5-yl)-4-methylthiophene-2-carboxamide
PubChem CID79988116
Molecular FormulaC15H10BrClN2OS
Molecular Weight381.68 g/mol
Exact Mass379.94
IUPAC Name5-bromo-N-(8-chloroquinolin-5-yl)-4-methylthiophene-2-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(Cl)c3ncccc23)sc1Br
InChIInChI=1S/C15H10BrClN2OS/c1-8-7-12(21-14(8)16)15(20)19-11-5-4-10(17)13-9(11)3-2-6-18-13/h2-7H,1H3,(H,19,20)
InChIKeyFNDUQRLPNDDRIC-UHFFFAOYSA-N
XLogP5.27
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.68
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-dibromo-N-(5-chloroquinolin-8-yl)thiophene-2-carboxamide
CID 78915812
5-bromo-N-(5-bromo-2-chlorophenyl)-4-methylthiophene-2-carboxamide
CID 79990693
4-bromo-N-(8-chloroquinolin-5-yl)-1-methylpyrrole-2-carboxamide
CID 60727478
2-bromo-N-(8-chloroquinolin-5-yl)propanamide
CID 107903962
N-(8-aminoquinolin-5-yl)-5-methylthiophene-2-carboxamide
CID 104826414
5-bromo-4-methyl-N-(4-methyl-3-pyridinyl)thiophene-2-carboxamide
CID 79941495
N-(8-chloroquinolin-5-yl)furan-2-carboxamide
CID 33316746
5-bromo-N-[2-chloro-4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-4-methylthiophene-2-carboxamide
CID 107809904
N-(2-aminophenyl)-5-bromo-4-methylthiophene-2-carboxamide
CID 79976427
5-bromo-N-(3-hydroxy-2-methylphenyl)-4-methylthiophene-2-carboxamide
CID 79990193
N-(8-methylquinolin-5-yl)-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
CID 122142260
N-(5-acetamido-2-methylphenyl)-5-bromo-4-methylthiophene-2-carboxamide
CID 79916167

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(8-chloroquinolin-5-yl)-4-methylthiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-(8-chloroquinolin-5-yl)-4-methylthiophene-2-carboxamide (CID 79988116) is 5-bromo-N-(8-chloroquinolin-5-yl)-4-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(8-chloroquinolin-5-yl)-4-methylthiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-(8-chloroquinolin-5-yl)-4-methylthiophene-2-carboxamide is Cc1cc(C(=O)Nc2ccc(Cl)c3ncccc23)sc1Br.
What is the InChIKey of 5-bromo-N-(8-chloroquinolin-5-yl)-4-methylthiophene-2-carboxamide?
The InChIKey is FNDUQRLPNDDRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClN2OS/c1-8-7-12(21-14(8)16)15(20)19-11-5-4-10(17)13-9(11)3-2-6-18-13/h2-7H,1H3,(H,19,20).
What are the key properties of 5-bromo-N-(8-chloroquinolin-5-yl)-4-methylthiophene-2-carboxamide?
5-bromo-N-(8-chloroquinolin-5-yl)-4-methylthiophene-2-carboxamide has a molecular weight of 381.68 g/mol, XLogP of 5.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(8-chloroquinolin-5-yl)-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 79988116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).