N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)quinoline-4-carboxamide

C26H18BrN3O2S — CID 4111073

IUPACN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3nc(-c4ccc(Br)cc4)cs3)c3ccccc3n2)cc1
InChIInChI=1S/C26H18BrN3O2S/c1-32-19-12-8-16(9-13-19)23-14-21(20-4-2-3-5-22(20)28-23)25(31)30-26-29-24(15-33-26)17-6-10-18(27)11-7-17/h2-15H,1H3,(H,29,30,31)
InChIKeyWHWOUVXSOZFSPO-UHFFFAOYSA-N
MW516.42 g/mol
LogP7.05
Rot. Bonds5

About N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)quinoline-4-carboxamide

N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)quinoline-4-carboxamide (PubChem CID 4111073) has the molecular formula C26H18BrN3O2S and a molecular weight of 516.42 g/mol. Its IUPAC name is N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)quinoline-4-carboxamide
PubChem CID4111073
Molecular FormulaC26H18BrN3O2S
Molecular Weight516.42 g/mol
Exact Mass515.03
IUPAC NameN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3nc(-c4ccc(Br)cc4)cs3)c3ccccc3n2)cc1
InChIInChI=1S/C26H18BrN3O2S/c1-32-19-12-8-16(9-13-19)23-14-21(20-4-2-3-5-22(20)28-23)25(31)30-26-29-24(15-33-26)17-6-10-18(27)11-7-17/h2-15H,1H3,(H,29,30,31)
InChIKeyWHWOUVXSOZFSPO-UHFFFAOYSA-N
XLogP7.05
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.42
LogP ≤ 57.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(3,4-dimethylphenyl)quinoline-4-carboxamide
CID 5151402
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)quinoline-4-carboxamide
CID 4617193
N-(2,4-dibromophenyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 4056955
methyl 4-(4-bromophenyl)-2-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]thiophene-3-carboxylate
CID 4516643
2-(4-chlorophenyl)-N-(4-phenyl-1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 2163412
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide
CID 2162604
3-bromo-2,5-dimethoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 24625358
3,5-dibromo-2-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 17117064
[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 23994526
2-(2,4-dimethoxyphenyl)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide
CID 5076234
2-(4-ethoxyphenyl)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 4649173
2-(4-ethoxyphenyl)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide
CID 4300165

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)quinoline-4-carboxamide?
The IUPAC name of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)quinoline-4-carboxamide (CID 4111073) is N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)quinoline-4-carboxamide is COc1ccc(-c2cc(C(=O)Nc3nc(-c4ccc(Br)cc4)cs3)c3ccccc3n2)cc1.
What is the InChIKey of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)quinoline-4-carboxamide?
The InChIKey is WHWOUVXSOZFSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18BrN3O2S/c1-32-19-12-8-16(9-13-19)23-14-21(20-4-2-3-5-22(20)28-23)25(31)30-26-29-24(15-33-26)17-6-10-18(27)11-7-17/h2-15H,1H3,(H,29,30,31).
What are the key properties of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)quinoline-4-carboxamide?
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)quinoline-4-carboxamide has a molecular weight of 516.42 g/mol, XLogP of 7.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 4111073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).