2-(4-bromophenyl)-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide

C20H14BrN3O2 — CID 1358287

IUPAC2-(4-bromophenyl)-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide
SMILESCc1cc(NC(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc23)no1
InChIInChI=1S/C20H14BrN3O2/c1-12-10-19(24-26-12)23-20(25)16-11-18(13-6-8-14(21)9-7-13)22-17-5-3-2-4-15(16)17/h2-11H,1H3,(H,23,24,25)
InChIKeyLRQFYNGFLPZBJV-UHFFFAOYSA-N
MW408.26 g/mol
LogP5.21
Rot. Bonds3

About 2-(4-bromophenyl)-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide

2-(4-bromophenyl)-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide (PubChem CID 1358287) has the molecular formula C20H14BrN3O2 and a molecular weight of 408.26 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide
PubChem CID1358287
Molecular FormulaC20H14BrN3O2
Molecular Weight408.26 g/mol
Exact Mass407.03
IUPAC Name2-(4-bromophenyl)-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide
SMILESCc1cc(NC(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc23)no1
InChIInChI=1S/C20H14BrN3O2/c1-12-10-19(24-26-12)23-20(25)16-11-18(13-6-8-14(21)9-7-13)22-17-5-3-2-4-15(16)17/h2-11H,1H3,(H,23,24,25)
InChIKeyLRQFYNGFLPZBJV-UHFFFAOYSA-N
XLogP5.21
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.26
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide
CID 4095752
N-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 155910501
2-(4-bromophenyl)-N-(3,5-dimethylphenyl)quinoline-4-carboxamide
CID 2163425
N-(5-methyl-1,2-oxazol-3-yl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 2329897
6-bromo-N-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 2220680
2-(4-methylphenyl)-N-(1,2-oxazol-3-yl)quinoline-4-carboxamide
CID 17285283
2-(4-bromophenyl)-N-(2-ethylphenyl)quinoline-4-carboxamide
CID 4289589
2-(4-methylphenyl)-N-pyridin-2-ylquinoline-4-carboxamide
CID 868286
N-(2,4-dibromophenyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 4056955
methyl 2-(4-bromophenyl)quinoline-4-carboxylate
CID 874713
N-(1,2-oxazol-3-yl)-2-phenylquinoline-4-carboxamide
CID 899144
6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 17371985

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide?
The IUPAC name of 2-(4-bromophenyl)-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide (CID 1358287) is 2-(4-bromophenyl)-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide?
The canonical SMILES for 2-(4-bromophenyl)-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide is Cc1cc(NC(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc23)no1.
What is the InChIKey of 2-(4-bromophenyl)-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide?
The InChIKey is LRQFYNGFLPZBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BrN3O2/c1-12-10-19(24-26-12)23-20(25)16-11-18(13-6-8-14(21)9-7-13)22-17-5-3-2-4-15(16)17/h2-11H,1H3,(H,23,24,25).
What are the key properties of 2-(4-bromophenyl)-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide?
2-(4-bromophenyl)-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide has a molecular weight of 408.26 g/mol, XLogP of 5.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide is sourced from PubChem (CID 1358287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).