N-(4-bromothiophen-2-yl)-2-methylquinoline-8-carboxamide

C15H11BrN2OS — CID 130336247

IUPACN-(4-bromothiophen-2-yl)-2-methylquinoline-8-carboxamide
SMILESCc1ccc2cccc(C(=O)Nc3cc(Br)cs3)c2n1
InChIInChI=1S/C15H11BrN2OS/c1-9-5-6-10-3-2-4-12(14(10)17-9)15(19)18-13-7-11(16)8-20-13/h2-8H,1H3,(H,18,19)
InChIKeyWEJAIDRWGDTMBL-UHFFFAOYSA-N
MW347.24 g/mol
LogP4.62
Rot. Bonds2

About N-(4-bromothiophen-2-yl)-2-methylquinoline-8-carboxamide

N-(4-bromothiophen-2-yl)-2-methylquinoline-8-carboxamide (PubChem CID 130336247) has the molecular formula C15H11BrN2OS and a molecular weight of 347.24 g/mol. Its IUPAC name is N-(4-bromothiophen-2-yl)-2-methylquinoline-8-carboxamide.

Molecular Properties

Compound NameN-(4-bromothiophen-2-yl)-2-methylquinoline-8-carboxamide
PubChem CID130336247
Molecular FormulaC15H11BrN2OS
Molecular Weight347.24 g/mol
Exact Mass345.98
IUPAC NameN-(4-bromothiophen-2-yl)-2-methylquinoline-8-carboxamide
SMILESCc1ccc2cccc(C(=O)Nc3cc(Br)cs3)c2n1
InChIInChI=1S/C15H11BrN2OS/c1-9-5-6-10-3-2-4-12(14(10)17-9)15(19)18-13-7-11(16)8-20-13/h2-8H,1H3,(H,18,19)
InChIKeyWEJAIDRWGDTMBL-UHFFFAOYSA-N
XLogP4.62
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.24
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dimethylphenyl)-2-methylquinoline-8-carboxamide
CID 130298179
5-bromo-2,3,4-trimethyl-N-(2-methylquinolin-8-yl)benzamide
CID 23833429
2-hydroxy-N-(2-methylquinolin-8-yl)benzamide
CID 62954992
CID 87849940
CID 87849940
2-methyl-N-[3-(methylamino)propyl]quinoline-8-carboxamide
CID 119429883
5-bromo-N-(2-methylquinolin-8-yl)pyridine-3-carboxamide
CID 62954817
4-bromo-N-(2-methylquinolin-8-yl)-1H-pyrrole-2-carboxamide
CID 62954640
2-methyl-N-[3-(methylamino)propyl]quinoline-8-carboxamide;dihydrochloride
CID 119429882
2-methyl-2-[(2-methylquinoline-8-carbonyl)amino]butanoic acid
CID 120518528
methyl 2-[(2-methylquinolin-8-yl)amino]-2-oxoacetate
CID 112617186
2-[(2-methylquinolin-8-yl)amino]benzoic acid
CID 63538689
2-methyl-N-piperidin-4-ylquinoline-8-carboxamide;dihydrochloride
CID 119386176

Frequently Asked Questions

What is the IUPAC name of N-(4-bromothiophen-2-yl)-2-methylquinoline-8-carboxamide?
The IUPAC name of N-(4-bromothiophen-2-yl)-2-methylquinoline-8-carboxamide (CID 130336247) is N-(4-bromothiophen-2-yl)-2-methylquinoline-8-carboxamide.
What is the SMILES notation for N-(4-bromothiophen-2-yl)-2-methylquinoline-8-carboxamide?
The canonical SMILES for N-(4-bromothiophen-2-yl)-2-methylquinoline-8-carboxamide is Cc1ccc2cccc(C(=O)Nc3cc(Br)cs3)c2n1.
What is the InChIKey of N-(4-bromothiophen-2-yl)-2-methylquinoline-8-carboxamide?
The InChIKey is WEJAIDRWGDTMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2OS/c1-9-5-6-10-3-2-4-12(14(10)17-9)15(19)18-13-7-11(16)8-20-13/h2-8H,1H3,(H,18,19).
What are the key properties of N-(4-bromothiophen-2-yl)-2-methylquinoline-8-carboxamide?
N-(4-bromothiophen-2-yl)-2-methylquinoline-8-carboxamide has a molecular weight of 347.24 g/mol, XLogP of 4.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromothiophen-2-yl)-2-methylquinoline-8-carboxamide is sourced from PubChem (CID 130336247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).